- InChI
- InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m0/s1
- InChI Key
- FAKRSMQSSFJEIM-NKWVEPMBSA-N
- Formula
- C9H15NO3S
- SMILES
- CC(CS)C(=O)N1CCCC1C(=O)O
- Molecular Weight1
- 217.28
- CAS
- 62571-86-2
- Other Names
-
- (-)-Captopril
- (2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline
- 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline
- 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline
- 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline
- 1-Pyrrolidinecarboxylic acid, 1-(D-3-mercapto-2-methyl-1-propionyl)-, L-(S,S)-
- 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-L-proline
- Acediur
- Aceplus
- Acepress
- Acepril
- Alopresin
- Capoten
- Captolane
- Captopryl
- Captoril
- Cesplon
- D-2-Methyl-3-mercaptopropanoyl-L-proline
- D-3-Mercapto-2-methylpropanoyl-L-proline
- Dilabar
- Garranil
- Hipertil
- L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-
- L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
- Lopirin
- Lopril
- SA 333
- SQ 14,225
- SQ 14225
- Tensobon
- Tensoprel
- l-Captopril
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 0.628 | Crippen Calculated Property | |
| McVol | 162.150 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 20.38 | kJ/mol | 379.50 | NIST |
Similar Compounds
Find more compounds similar to Captopril.
Mixtures
- Isopropyl Alcohol + Captopril
- Captopril + Acetone
- Acetonitrile + Captopril
- Captopril + Acetic acid, methyl ester
- Captopril + Ethyl Acetate
- Captopril + Acetic acid, butyl ester
Sources
- Crippen Method
- Crippen Method
- Solubility of Captopril in 2-Propanol, Acetone, Acetonitrile, Methyl Acetate, Ethyl Acetate, and Butyl Acetate
- McGowan Method
- NIST Webbook
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