Test
CAS: 32780-64-6 Molecular Formula: C19H25ClN2O3 Molecular Weight (g/mol): 364.87 InChI Key: WQVZLXWQESQGIF-UHFFFAOYNA-N IUPAC Name: 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide hydrochloride SMILES: Cl.CC(CCC1=CC=CC=C1)NCC(O)C1=CC=C(O)C(=C1)C(N)=O
CAS | 32780-64-6 |
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Molecular Weight (g/mol) | 364.87 |
SMILES | Cl.CC(CCC1=CC=CC=C1)NCC(O)C1=CC=C(O)C(=C1)C(N)=O |
IUPAC Name | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide hydrochloride |
InChI Key | WQVZLXWQESQGIF-UHFFFAOYNA-N |
Molecular Formula | C19H25ClN2O3 |
CAS: 84625-61-6 Molecular Formula: C35H38Cl2N8O4 Molecular Weight (g/mol): 705.64 MDL Number: MFCD00870168,MFCD00941396 InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N IUPAC Name: 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
CAS | 84625-61-6 |
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Molecular Weight (g/mol) | 705.64 |
MDL Number | MFCD00870168,MFCD00941396 |
SMILES | CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
IUPAC Name | 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one |
InChI Key | VHVPQPYKVGDNFY-ZPGVKDDISA-N |
Molecular Formula | C35H38Cl2N8O4 |
CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
CAS | 22916-47-8 |
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Molecular Weight (g/mol) | 416.12 |
MDL Number | MFCD00216019 |
SMILES | ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole |
InChI Key | BYBLEWFAAKGYCD-UHFFFAOYNA-N |
Molecular Formula | C18H14Cl4N2O |
CAS: 38304-91-5 Molecular Formula: C9H15N5O Molecular Weight (g/mol): 209.25 InChI Key: ZIMGGGWCDYVHOY-UHFFFAOYSA-N IUPAC Name: 6-amino-2-imino-4-(piperidin-1-yl)-1,2-dihydropyrimidin-1-ol SMILES: NC1=CC(=NC(=N)N1O)N1CCCCC1
CAS | 38304-91-5 |
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Molecular Weight (g/mol) | 209.25 |
SMILES | NC1=CC(=NC(=N)N1O)N1CCCCC1 |
IUPAC Name | 6-amino-2-imino-4-(piperidin-1-yl)-1,2-dihydropyrimidin-1-ol |
InChI Key | ZIMGGGWCDYVHOY-UHFFFAOYSA-N |
Molecular Formula | C9H15N5O |
CAS: 14807-96-6 Molecular Formula: H2Mg3O12Si4 Molecular Weight (g/mol): 379.26 MDL Number: MFCD00792903 InChI Key: KNXVOGGZOFOROK-UHFFFAOYSA-N IUPAC Name: trimagnesium(2+) bis(oxosilanebis(olate)) dihydroxysilanoylolate SMILES: [Mg++].[Mg++].[Mg++].O[Si]([O-])=O.O[Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O
CAS | 14807-96-6 |
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Molecular Weight (g/mol) | 379.26 |
MDL Number | MFCD00792903 |
SMILES | [Mg++].[Mg++].[Mg++].O[Si]([O-])=O.O[Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O |
IUPAC Name | trimagnesium(2+) bis(oxosilanebis(olate)) dihydroxysilanoylolate |
InChI Key | KNXVOGGZOFOROK-UHFFFAOYSA-N |
Molecular Formula | H2Mg3O12Si4 |
CAS: 58-86-6 Molecular Formula: C5H10O5 Molecular Weight (g/mol): 150.13 InChI Key: SRBFZHDQGSBBOR-UHFFFAOYNA-N IUPAC Name: oxane-2,3,4,5-tetrol SMILES: OC1COC(O)C(O)C1O
CAS | 58-86-6 |
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Molecular Weight (g/mol) | 150.13 |
SMILES | OC1COC(O)C(O)C1O |
IUPAC Name | oxane-2,3,4,5-tetrol |
InChI Key | SRBFZHDQGSBBOR-UHFFFAOYNA-N |
Molecular Formula | C5H10O5 |
CAS: 4468-02-4 Molecular Formula: C12H22O14Zn Molecular Weight (g/mol): 455.67 MDL Number: MFCD00868110 InChI Key: WHMDKBIGKVEYHS-IYEMJOQQSA-L IUPAC Name: zinc(2+) bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) SMILES: [Zn++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
CAS | 4468-02-4 |
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Molecular Weight (g/mol) | 455.67 |
MDL Number | MFCD00868110 |
SMILES | [Zn++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O |
IUPAC Name | zinc(2+) bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) |
InChI Key | WHMDKBIGKVEYHS-IYEMJOQQSA-L |
Molecular Formula | C12H22O14Zn |
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O
CAS | 58-55-9 |
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Molecular Weight (g/mol) | 180.17 |
SMILES | CN1C2=C(NC=N2)C(=O)N(C)C1=O |
IUPAC Name | 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Molecular Formula | C7H8N4O2 |
CAS: 94-24-6 Molecular Formula: C15H24N2O2 Molecular Weight (g/mol): 264.37 InChI Key: GKCBAIGFKIBETG-UHFFFAOYSA-N IUPAC Name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
CAS | 94-24-6 |
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Molecular Weight (g/mol) | 264.37 |
SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C |
IUPAC Name | 2-(dimethylamino)ethyl 4-(butylamino)benzoate |
InChI Key | GKCBAIGFKIBETG-UHFFFAOYSA-N |
Molecular Formula | C15H24N2O2 |
CAS: 6004-24-6 Molecular Formula: C21H40ClNO Molecular Weight (g/mol): 358.01 MDL Number: MFCD00149977 InChI Key: NFCRBQADEGXVDL-UHFFFAOYSA-M IUPAC Name: 1-hexadecyl-1,4-dihydropyridin-4-ylium hydrate chloride SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1
CAS | 6004-24-6 |
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Molecular Weight (g/mol) | 358.01 |
MDL Number | MFCD00149977 |
SMILES | O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1 |
IUPAC Name | 1-hexadecyl-1,4-dihydropyridin-4-ylium hydrate chloride |
InChI Key | NFCRBQADEGXVDL-UHFFFAOYSA-M |
Molecular Formula | C21H40ClNO |
CAS: 88-04-0 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 InChI Key: OSDLLIBGSJNGJE-UHFFFAOYSA-N IUPAC Name: 4-chloro-3,5-dimethylphenol SMILES: CC1=CC(O)=CC(C)=C1Cl
CAS | 88-04-0 |
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Molecular Weight (g/mol) | 156.61 |
SMILES | CC1=CC(O)=CC(C)=C1Cl |
IUPAC Name | 4-chloro-3,5-dimethylphenol |
InChI Key | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
Molecular Formula | C8H9ClO |
CAS: 5949-29-1 Molecular Formula: C6H10O8 Molecular Weight (g/mol): 210.14 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate SMILES: O.OC(=O)CC(O)(CC(O)=O)C(O)=O
CAS | 5949-29-1 |
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Molecular Weight (g/mol) | 210.14 |
SMILES | O.OC(=O)CC(O)(CC(O)=O)C(O)=O |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate |
InChI Key | YASYEJJMZJALEJ-UHFFFAOYSA-N |
Molecular Formula | C6H10O8 |
CAS: 17321-77-6 Molecular Formula: C19H24Cl2N2 Molecular Weight (g/mol): 351.32 InChI Key: WIMWMKZEIBHDTH-UHFFFAOYSA-N IUPAC Name: hydrogen (3-{5-chloro-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCCN1C2=CC=CC=C2CCC2=CC=C(Cl)C=C12
CAS | 17321-77-6 |
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Molecular Weight (g/mol) | 351.32 |
SMILES | [H+].[Cl-].CN(C)CCCN1C2=CC=CC=C2CCC2=CC=C(Cl)C=C12 |
IUPAC Name | hydrogen (3-{5-chloro-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine chloride |
InChI Key | WIMWMKZEIBHDTH-UHFFFAOYSA-N |
Molecular Formula | C19H24Cl2N2 |
CAS: 7784-13-6 Molecular Formula: AlCl3H12O6 Molecular Weight (g/mol): 241.42 MDL Number: MFCD00149134 InChI Key: JGDITNMASUZKPW-UHFFFAOYSA-K IUPAC Name: aluminium(3+) hexahydrate trichloride SMILES: O.O.O.O.O.O.[Al+3].[Cl-].[Cl-].[Cl-]
CAS | 7784-13-6 |
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Molecular Weight (g/mol) | 241.42 |
MDL Number | MFCD00149134 |
SMILES | O.O.O.O.O.O.[Al+3].[Cl-].[Cl-].[Cl-] |
IUPAC Name | aluminium(3+) hexahydrate trichloride |
InChI Key | JGDITNMASUZKPW-UHFFFAOYSA-K |
Molecular Formula | AlCl3H12O6 |
CAS: 665-66-7 Molecular Formula: C10H18ClN Molecular Weight (g/mol): 187.71 MDL Number: MFCD00074723 InChI Key: WOLHOYHSEKDWQH-UHFFFAOYSA-N IUPAC Name: hydrogen adamantan-1-amine chloride SMILES: [H+].[Cl-].NC12CC3CC(CC(C3)C1)C2
CAS | 665-66-7 |
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Molecular Weight (g/mol) | 187.71 |
MDL Number | MFCD00074723 |
SMILES | [H+].[Cl-].NC12CC3CC(CC(C3)C1)C2 |
IUPAC Name | hydrogen adamantan-1-amine chloride |
InChI Key | WOLHOYHSEKDWQH-UHFFFAOYSA-N |
Molecular Formula | C10H18ClN |