Captopril
Properties
- Molecular formula
- C9H15NO3S
- Molar mass
- 217.28 g/mol
- Exact mass
- 217.0773 Da
- Melting point
- 103–104 °C
- pKa
- 3.7, 9.8
- Water solubility
- freely soluble
- logP
- 0.63Crippen estimate
- Polar surface area
- 57.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
- Stereocentres
- S, Sin SMILES atom order
Hazards
Danger
- H317 May cause an allergic skin reaction95.6% of notifiers
- H318 Causes serious eye damage23.4% of notifiers
- H360 May damage fertility or the unborn child61.3% of notifiers
- H361 Suspected of damaging fertility or the unborn child34.3% of notifiers
Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P318, P321, P333+P317, P362+P364, P405, P501
Identifiers
CAS number
62571-86-2SMILES
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)OInChIKey
FAKRSMQSSFJEIM-RQJHMYQMSA-NInChI
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+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
44 names · show all
- L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
- L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-
- 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline
- SQ 14225
- Capoten
- SA 333
- (-)-Captopril
- L-Captopril
- Tensiomin
- S-Captopril
- Novocaptopril
- Lopril
- Captoril
- Tensobon
- Acepress
- Acepril
- Tensoprel
- Captolane
- Cesplon
- Acediur
- Aceplus
- Hipertil
- Alopresin
- Garranil
- Dilabar
- Lopirin
- (-)-1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline
- Angiopril
- Capotril
- Farcopril
- Hypopress
- Captotec
- CaptoHexal
- Zapto
- Captomax
- Facopril
- Lotensine
- Captopril generis
- Captopril mepha
- Captopril GP
- Captopril ratiopharm
- Capton
- Aceten 25
- Aceten
Work with Captopril
Similar compounds
(S)-1-(3-(Acetylthio)-2-methyl-1-oxopropyl)-L-proline64838-55-763 % similar
L-Alanyl-L-proline13485-59-162 % similar
Ac-dl-pro-oh1074-79-954 % similar
N-Acetyl-D-proline59785-68-154 % similar
N-Acetyl-L-proline68-95-154 % similar
3-Mercaptoisobutyric acid26473-47-251 % similar
1-(2-Chloroacetyl)-L-proline23500-10-949 % similar
Glycyl-L-proline704-15-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds