Piperazines
Piperazines
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Filtered Search Results
1-tert-Butylpiperazine, 97%, Thermo Scientific Chemicals
CAS: 38216-72-7 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.246 MDL Number: MFCD00049359 InChI Key: PVMNSAIKFPWDQG-UHFFFAOYSA-N Synonym: n-tert-butylpiperazine,1-tert-butyl piperazine,n-t-butylpiperazine,1-t-butyl piperazine,1-tertbutyl piperazine,1-tert-butyl-piperazine,piperazine, 1-1,1-dimethylethyl,n-tert-butyl piperazine,tert-butylpiperazine,tert-butyl piperazine PubChem CID: 3530572 IUPAC Name: 1-tert-butylpiperazine SMILES: CC(C)(C)N1CCNCC1
PubChem CID | 3530572 |
---|---|
CAS | 38216-72-7 |
Molecular Weight (g/mol) | 142.246 |
MDL Number | MFCD00049359 |
SMILES | CC(C)(C)N1CCNCC1 |
Synonym | n-tert-butylpiperazine,1-tert-butyl piperazine,n-t-butylpiperazine,1-t-butyl piperazine,1-tertbutyl piperazine,1-tert-butyl-piperazine,piperazine, 1-1,1-dimethylethyl,n-tert-butyl piperazine,tert-butylpiperazine,tert-butyl piperazine |
IUPAC Name | 1-tert-butylpiperazine |
InChI Key | PVMNSAIKFPWDQG-UHFFFAOYSA-N |
Molecular Formula | C8H18N2 |
1,4-Diazabicyclo[2.2.2]octane 98.0+%, TCI America™
CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.176 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2
PubChem CID | 9237 |
---|---|
CAS | 280-57-9 |
Molecular Weight (g/mol) | 112.176 |
MDL Number | MFCD00006689 |
SMILES | C1CN2CCN1CC2 |
Synonym | 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 |
IUPAC Name | 1,4-diazabicyclo[2.2.2]octane |
InChI Key | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
Molecular Formula | C6H12N2 |
1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 96%, Thermo Scientific Chemicals
CAS: 140681-55-6 Molecular Formula: C7H14B2ClF9N2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD00142607 InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N Synonym: selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate PubChem CID: 2724933 IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
PubChem CID | 2724933 |
---|---|
CAS | 140681-55-6 |
Molecular Weight (g/mol) | 354.26 |
MDL Number | MFCD00142607 |
SMILES | F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2 |
Synonym | selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate |
IUPAC Name | 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate |
InChI Key | TXRPHPUGYLSHCX-UHFFFAOYSA-N |
Molecular Formula | C7H14B2ClF9N2 |
Thermo Scientific Chemicals Ketoconazole, 98%
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 531.44 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
PubChem CID | 76973198 |
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CAS | 65277-42-1 |
Molecular Weight (g/mol) | 531.44 |
SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
Synonym | ketoconazole |
IUPAC Name | 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
InChI Key | XMAYWYJOQHXEEK-SIULDFEJSA-N |
Molecular Formula | C26H28Cl2N4O4 |
1,4-Diazabicyclo[2.2.2]octane, 98%, Thermo Scientific Chemicals
CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.176 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2
PubChem CID | 9237 |
---|---|
CAS | 280-57-9 |
Molecular Weight (g/mol) | 112.176 |
MDL Number | MFCD00006689 |
SMILES | C1CN2CCN1CC2 |
Synonym | 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 |
IUPAC Name | 1,4-diazabicyclo[2.2.2]octane |
InChI Key | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
Molecular Formula | C6H12N2 |
1,4-Bis(2-hydroxyethyl)piperazine, 98%, Thermo Scientific Chemicals
CAS: 122-96-3 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.244 MDL Number: MFCD00006157 InChI Key: VARKIGWTYBUWNT-UHFFFAOYSA-N Synonym: 1,4-piperazinediethanol,2,2'-piperazine-1,4-diyl diethanol,1,4-bis 2-hydroxyethyl piperazine,n,n'-bis 2-hydroxyethyl piperazine,1,4-di 2-hydroxyethyl piperazine,n,n'-dihydroxyethylpiperazine,n,n'-di 2-hydroxyethyl piperazine,unii-eq349pkx8y,piperazine, n,n'-bis 2-hydroxyethyl,1,4-bis beta-hydroxyethyl piperazine PubChem CID: 67151 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol SMILES: C1CN(CCN1CCO)CCO
PubChem CID | 67151 |
---|---|
CAS | 122-96-3 |
Molecular Weight (g/mol) | 174.244 |
MDL Number | MFCD00006157 |
SMILES | C1CN(CCN1CCO)CCO |
Synonym | 1,4-piperazinediethanol,2,2'-piperazine-1,4-diyl diethanol,1,4-bis 2-hydroxyethyl piperazine,n,n'-bis 2-hydroxyethyl piperazine,1,4-di 2-hydroxyethyl piperazine,n,n'-dihydroxyethylpiperazine,n,n'-di 2-hydroxyethyl piperazine,unii-eq349pkx8y,piperazine, n,n'-bis 2-hydroxyethyl,1,4-bis beta-hydroxyethyl piperazine |
IUPAC Name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol |
InChI Key | VARKIGWTYBUWNT-UHFFFAOYSA-N |
Molecular Formula | C8H18N2O2 |
tert-Butyl 1-piperazinecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 57260-71-6 Molecular Formula: C9H19N2O2 Molecular Weight (g/mol): 187.26 MDL Number: MFCD00075265 InChI Key: CWXPZXBSDSIRCS-UHFFFAOYSA-O Synonym: 1-boc-piperazine,n-boc-piperazine,1-n-boc-piperazine,tert-butyl 1-piperazinecarboxylate,1-tert-butoxycarbonyl piperazine,n-t-butoxycarbonylpiperazine,boc-piperazine,n-tert-butoxycarbonylpiperazine,piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 1,1-dimethylethyl ester PubChem CID: 143452 IUPAC Name: tert-butyl piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CC[NH2+]CC1
PubChem CID | 143452 |
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CAS | 57260-71-6 |
Molecular Weight (g/mol) | 187.26 |
MDL Number | MFCD00075265 |
SMILES | CC(C)(C)OC(=O)N1CC[NH2+]CC1 |
Synonym | 1-boc-piperazine,n-boc-piperazine,1-n-boc-piperazine,tert-butyl 1-piperazinecarboxylate,1-tert-butoxycarbonyl piperazine,n-t-butoxycarbonylpiperazine,boc-piperazine,n-tert-butoxycarbonylpiperazine,piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 1,1-dimethylethyl ester |
IUPAC Name | tert-butyl piperazine-1-carboxylate |
InChI Key | CWXPZXBSDSIRCS-UHFFFAOYSA-O |
Molecular Formula | C9H19N2O2 |
1-[2-(2-Hydroxyethoxy)ethyl]piperazine 98.0+%, TCI America™
CAS: 13349-82-1 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.244 MDL Number: MFCD00074931 InChI Key: FLNQAPQQAZVRDA-UHFFFAOYSA-N Synonym: 1-2-2-hydroxyethoxy ethyl piperazine,2-2-piperazin-1-yl ethoxy ethanol,2-2-piperazin-1-ylethoxy ethanol,2-2-1-piperazinyl ethoxy ethanol,1-2-2-hydroxyethoxyl-ethyl piperazine,1-2-2-hydroxyethoxy-ethyl-piperazine,ethanol, 2-2-1-piperazinyl ethoxy PubChem CID: 139436 IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol SMILES: C1CN(CCN1)CCOCCO
PubChem CID | 139436 |
---|---|
CAS | 13349-82-1 |
Molecular Weight (g/mol) | 174.244 |
MDL Number | MFCD00074931 |
SMILES | C1CN(CCN1)CCOCCO |
Synonym | 1-2-2-hydroxyethoxy ethyl piperazine,2-2-piperazin-1-yl ethoxy ethanol,2-2-piperazin-1-ylethoxy ethanol,2-2-1-piperazinyl ethoxy ethanol,1-2-2-hydroxyethoxyl-ethyl piperazine,1-2-2-hydroxyethoxy-ethyl-piperazine,ethanol, 2-2-1-piperazinyl ethoxy |
IUPAC Name | 2-(2-piperazin-1-ylethoxy)ethanol |
InChI Key | FLNQAPQQAZVRDA-UHFFFAOYSA-N |
Molecular Formula | C8H18N2O2 |
1-(2-Hydroxyethyl)piperazine, 98+%, Thermo Scientific Chemicals
CAS: 103-76-4 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.191 MDL Number: MFCD00005970 InChI Key: WFCSWCVEJLETKA-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine PubChem CID: 7677 IUPAC Name: 2-piperazin-1-ylethanol SMILES: C1CN(CCN1)CCO
PubChem CID | 7677 |
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CAS | 103-76-4 |
Molecular Weight (g/mol) | 130.191 |
MDL Number | MFCD00005970 |
SMILES | C1CN(CCN1)CCO |
Synonym | n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine |
IUPAC Name | 2-piperazin-1-ylethanol |
InChI Key | WFCSWCVEJLETKA-UHFFFAOYSA-N |
Molecular Formula | C6H14N2O |
2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic Acid 99.0+%, TCI America™
CAS: 7365-45-9 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.30 MDL Number: MFCD00006158 InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N Synonym: hepes,2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonic acid,4-2-hydroxyethyl-1-piperazineethanesulfonic acid,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl,monosodium salt, hepes,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid,unii-rww266ye9i,4-2-hydroxyethyl-1-piperazineethane sulfonic acid,n-2-hydroxyethylpiperazine-n'-ethanesulfonate PubChem CID: 23831 ChEBI: CHEBI:42334 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid SMILES: OCCN1CCN(CCS(O)(=O)=O)CC1
PubChem CID | 23831 |
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CAS | 7365-45-9 |
Molecular Weight (g/mol) | 238.30 |
ChEBI | CHEBI:42334 |
MDL Number | MFCD00006158 |
SMILES | OCCN1CCN(CCS(O)(=O)=O)CC1 |
Synonym | hepes,2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonic acid,4-2-hydroxyethyl-1-piperazineethanesulfonic acid,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl,monosodium salt, hepes,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid,unii-rww266ye9i,4-2-hydroxyethyl-1-piperazineethane sulfonic acid,n-2-hydroxyethylpiperazine-n'-ethanesulfonate |
IUPAC Name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid |
InChI Key | JKMHFZQWWAIEOD-UHFFFAOYSA-N |
Molecular Formula | C8H18N2O4S |
1-(4-Methoxyphenyl)piperazine, 97%, Thermo Scientific Chemicals
CAS: 38212-30-5 Molecular Formula: C11H16N2O Molecular Weight (g/mol): 192.26 MDL Number: MFCD00040736 InChI Key: MRDGZSKYFPGAKP-UHFFFAOYSA-N Synonym: 1-4-methoxyphenyl piperazine,n-4-methoxyphenyl piperazine,n-p-methoxyphenyl piperazine,piperazine, 1-4-methoxyphenyl,unii-p385m92gyg,4-methoxyphenylpiperazine,1-4-anisyl piperazine,chembl59517,1-4-methoxyphenyl-piperazine,1-4-methoxy-phenyl-piperazine PubChem CID: 269722 IUPAC Name: 1-(4-methoxyphenyl)piperazine SMILES: COC1=CC=C(C=C1)N1CCNCC1
PubChem CID | 269722 |
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CAS | 38212-30-5 |
Molecular Weight (g/mol) | 192.26 |
MDL Number | MFCD00040736 |
SMILES | COC1=CC=C(C=C1)N1CCNCC1 |
Synonym | 1-4-methoxyphenyl piperazine,n-4-methoxyphenyl piperazine,n-p-methoxyphenyl piperazine,piperazine, 1-4-methoxyphenyl,unii-p385m92gyg,4-methoxyphenylpiperazine,1-4-anisyl piperazine,chembl59517,1-4-methoxyphenyl-piperazine,1-4-methoxy-phenyl-piperazine |
IUPAC Name | 1-(4-methoxyphenyl)piperazine |
InChI Key | MRDGZSKYFPGAKP-UHFFFAOYSA-N |
Molecular Formula | C11H16N2O |
1-Boc-piperazine, 99%, Thermo Scientific Chemicals
CAS: 57260-71-6 Molecular Formula: C9H19N2O2 Molecular Weight (g/mol): 187.26 MDL Number: MFCD00075265 InChI Key: CWXPZXBSDSIRCS-UHFFFAOYSA-O Synonym: 1-boc-piperazine,n-boc-piperazine,1-n-boc-piperazine,tert-butyl 1-piperazinecarboxylate,1-tert-butoxycarbonyl piperazine,n-t-butoxycarbonylpiperazine,boc-piperazine,n-tert-butoxycarbonylpiperazine,piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 1,1-dimethylethyl ester PubChem CID: 143452 IUPAC Name: tert-butyl piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CC[NH2+]CC1
PubChem CID | 143452 |
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CAS | 57260-71-6 |
Molecular Weight (g/mol) | 187.26 |
MDL Number | MFCD00075265 |
SMILES | CC(C)(C)OC(=O)N1CC[NH2+]CC1 |
Synonym | 1-boc-piperazine,n-boc-piperazine,1-n-boc-piperazine,tert-butyl 1-piperazinecarboxylate,1-tert-butoxycarbonyl piperazine,n-t-butoxycarbonylpiperazine,boc-piperazine,n-tert-butoxycarbonylpiperazine,piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 1,1-dimethylethyl ester |
IUPAC Name | tert-butyl piperazine-1-carboxylate |
InChI Key | CWXPZXBSDSIRCS-UHFFFAOYSA-O |
Molecular Formula | C9H19N2O2 |
Thermo Scientific Chemicals HEPES sodium salt, 99%
CAS: 75277-39-3 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.28 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 SMILES: [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1
PubChem CID | 2724248 |
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CAS | 75277-39-3 |
Molecular Weight (g/mol) | 260.28 |
ChEBI | CHEBI:46758 |
MDL Number | MFCD00036463 |
SMILES | [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1 |
Synonym | hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt |
InChI Key | RDZTWEVXRGYCFV-UHFFFAOYSA-M |
Molecular Formula | C8H17N2NaO4S |
Buspirone hydrochloride, Thermo Scientific Chemicals
CAS: 33386-08-2 Molecular Formula: C21H32ClN5O2 Molecular Weight (g/mol): 421.97 MDL Number: MFCD00078569 InChI Key: RICLFGYGYQXUFH-UHFFFAOYSA-N Synonym: buspirone hydrochloride,buspar,buspirone hcl,narol,buspimen,ansitec,anxinil,anxiolan,busirone,buspinol PubChem CID: 36431 ChEBI: CHEBI:3224 IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.Cl
PubChem CID | 36431 |
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CAS | 33386-08-2 |
Molecular Weight (g/mol) | 421.97 |
ChEBI | CHEBI:3224 |
MDL Number | MFCD00078569 |
SMILES | C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.Cl |
Synonym | buspirone hydrochloride,buspar,buspirone hcl,narol,buspimen,ansitec,anxinil,anxiolan,busirone,buspinol |
IUPAC Name | 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride |
InChI Key | RICLFGYGYQXUFH-UHFFFAOYSA-N |
Molecular Formula | C21H32ClN5O2 |
Ketoconazole, 98%, Thermo Scientific Chemicals
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
PubChem CID | 76973198 |
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CAS | 65277-42-1 |
Molecular Weight (g/mol) | 534.452 |
MDL Number | MFCD00058579 |
SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
Synonym | ketoconazole |
IUPAC Name | 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
InChI Key | XMAYWYJOQHXEEK-SIULDFEJSA-N |
Molecular Formula | C26H28Cl2N4O4 |