Captopril
CAS Number: 62571-86-2
Molecular Mass: 217.29 g/mol
Formula: C9H15NO3S
Smiles: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
Synonymes:
Captopril, captopril, 62571-86-2, Capoten, L-Captopril, Captopryl, Acepress, Captoril, Garranil, Cesplon, Captolane, Tensoprel, Dilabar, Lopril, Alopresin, Hypertil, Tenosbon, Acepril, Apopril, Captoprilum, Acediur, Aceplus, SQ-14225, Farcopril, Hypopress, Tensiomin, Zapto, (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid, Tensobon, SQ 14,225, SQ 14225, D-2-Methyl-3-mercaptopropanoyl-L-proline, D-3-Mercapto-2-methylpropanoyl-L-proline, Captomax, Mepha, Lopirin [Switzerland], D-3-Mercapto-2-methylpropionylproline, (2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline, 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline, 3-Mercapto-2-methylpropionyl-proline, DTXSID1037197, L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-, 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline, 9G64RSX1XD, SA-333, NSC-757419, CHEBI:3380, C09AA01, 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S), SQ14534, L-Proline, 1-((2S)-3-mercapto-2-methyl-1-oxopropyl)-, DTXCID9017197, (S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline, 1-Pyrrolidinecarboxylic acid, 1-(D-3-mercapto-2-methyl-1-propionyl)-, L-(S,S)-, Lopirin (Switzerland), (2S)-1-((2S)-2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid, 1-[(2s)-3-mercapto-2-methylpropionyl]-l-proline, SQ14225, Captomex, Ecopace, Kaplon, Noyada, Hyteneze 25, Hyteneze 50, CAPTORPIL, Hyteneze 12.5, RefChem:5644, SQ14,225, SQ14,534, SQ 14,534, NSC719847, 263-607-1, Lopirin, Captoprilum [INN-Latin], SA 333, 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline, (S)-1-((S)-3-mercapto-2-methylpropanoyl)pyrrolidine-2-carboxylic acid, Hipertil, L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-, 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline, (-)-Captopril, MFCD00168073, CHEMBL1560, MLS000069484, Asisten, Isopresol, NCGC00023654-04, SMR000059061, SQ -14225, Novocaptopril, Captril, Captopril (Capoten), Capozide (Salt/Mix), X8Z, Apopril (TN), Capoten (TN), HSDB 6527, SR-01000075603, EINECS 263-607-1, UNII-9G64RSX1XD, component of Captea (Salt/Mix), component of Acezide (Salt/Mix), component of Ecazide (Salt/Mix), Acenorm, , Acepril, , Capace, , Captopril CRS, Prestwick_103, Capoten, L-Captopril, Captopril (Standard), Captopril [USAN:USP:INN:BAN:JAN], SCHEMBL4, Spectrum_000688, CAPTOPRIL [INN], CAPTOPRIL [JAN], CAPTOPRIL [MI], CAPTOPRIL [HSDB], CAPTOPRIL [USAN], Opera_ID_1041, Prestwick3_000019, Spectrum2_001211, Spectrum3_001388, Spectrum4_000811, Spectrum5_001587, CAPTOPRIL [VANDF], Lopac-C-4042, 1-((2S)-2-Methyl-3-sulfanylpropanoyl)-L-proline #, CAPTOPRIL [MART.], Epitope ID:114065, UPCMLD-DP003, C 4042, CAPTOPRIL [USP-RS], CAPTOPRIL [WHO-DD], CAPTOPRIL [WHO-IP], Lopac0_000302, BSPBio_000057, BSPBio_002976, KBioGR_001321, KBioSS_001168, MLS001076488, DivK1c_000208, SPECTRUM1500682, SPBio_001022, Captopril (JP18/USP/INN), (S)-1-(3-Mercapto-2-methyl-1-oxo-propyl)-L-proline, BPBio1_000063, GTPL5158, orb1308556, orb3025817, CAPTOPRIL [ORANGE BOOK], CAPTOPRIL [EP MONOGRAPH], CAPTOPRIL [USP IMPURITY], UPCMLD-DP003:001, BDBM21642, HMS500K10, HY-B0368R, KBio1_000208, KBio2_001168, KBio2_003736, KBio2_006304, KBio3_002196, CAPTOPRIL [USP MONOGRAPH], 1j37, NINDS_000208, HMS1921C12, HMS2089P19, HMS2092I12, HMS2095C19, HMS2233I04, HMS3259G10, HMS3260N06, HMS3712C19, Pharmakon1600-01500682, CAPTOPRILUM [WHO-IP LATIN], ALBB-038657, HY-B0368, MSK10103, Tox21_110890, Tox21_500302, BBL033600, Captopril for system suitability CRS, CCG-39104, EBC-02058, EI-213, HB3636, NSC757419, s2051, SBB017523, STK802012, AKOS005622581, Captopril, >=98% (HPLC), powder, Tox21_110890_1, CS-2425, DB01197, FC19675, KS-5025, LP00302, NC00554, NSC 757419, SDCCGSBI-0050290.P006, IDI1_000208, SMP1_000056, NCGC00015235-01, NCGC00015235-02, NCGC00023654-03, NCGC00023654-05, NCGC00023654-06, NCGC00023654-07, NCGC00023654-08, NCGC00023654-09, NCGC00023654-10, NCGC00023654-11, NCGC00023654-13, NCGC00023654-25, NCGC00023654-26, NCGC00260987-01, AC-12047, AC-32120, ST079562, SY057979, SBI-0050290.P004, Captopril, meets USP testing specifications, EU-0100302, NS00008201, BIM-0050290.0001, C06867, D00251, EN300-118718, AB00052156-16, AB00052156_17, AB00052156_18, F358072, Q421119, SR-01000000039, SR-01000000039-2, SR-01000075603-1, SR-01000075603-3, 1-[(S)-3-mercapto-2-methyl-1-oxopropyl]-L-proline, BRD-K54529596-001-04-0, BRD-K54529596-001-15-6, BRD-K54529596-001-25-5, BRD-K54529596-001-26-3, 1-[(2S)-2-Methyl-3-mercapto-1-oxopropyl]-L-proline, Captopril, British Pharmacopoeia (BP) Reference Standard, Z1269124804, ([2S]-N-[3-MERCAPTO-2-METHYLPROPIONYL]-L-PROLINE, Captopril, European Pharmacopoeia (EP) Reference Standard, Captopril, United States Pharmacopeia (USP) Reference Standard, (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid, (2S)-1-[(2S)-2-Methyl-3-sulphanylpropanoyl]pyrrolidine-2-carboxylic acid, (S)-1-((S)-3-mercapto-2-methylpropanoyl)pyrrolidine-2-carboxylicacid, Captopril, Pharmaceutical Secondary Standard, Certified Reference Material, Captopril for system suitability, European Pharmacopoeia (EP) Reference Standard
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 278.15 | - | 84.59 | [453] |
| Acetone | 283.15 | - | 104.6 | [453] |
| Acetone | 288.15 | - | 127.1 | [453] |
| Acetone | 293.15 | - | 154.9 | [453] |
| Acetone | 298.15 | - | 190.1 | [453] |
| Acetone | 303.15 | - | 237.6 | [453] |
| Acetone | 308.15 | - | 295.9 | [453] |
| Acetone | 313.15 | - | 372.8 | [453] |
| Acetonitrile | 278.15 | - | 38.92 | [453] |
| Acetonitrile | 283.15 | - | 55.05 | [453] |
| Acetonitrile | 288.15 | - | 77.04 | [453] |
| Acetonitrile | 293.15 | - | 104.2 | [453] |
| Acetonitrile | 298.15 | - | 136.9 | [453] |
| Acetonitrile | 303.15 | - | 187.0 | [453] |
| Acetonitrile | 308.15 | - | 261.5 | [453] |
| Acetonitrile | 313.15 | - | 366.7 | [453] |
| Butyl acetate | 278.15 | - | 7.768 | [453] |
| Butyl acetate | 283.15 | - | 9.71 | [453] |
| Butyl acetate | 288.15 | - | 11.8 | [453] |
| Butyl acetate | 293.15 | - | 14.43 | [453] |
| Butyl acetate | 298.15 | - | 17.65 | [453] |
| Butyl acetate | 303.15 | - | 21.64 | [453] |
| Butyl acetate | 308.15 | - | 26.66 | [453] |
| Butyl acetate | 313.15 | - | 33.2 | [453] |
| Ethyl acetate | 278.15 | - | 14.02 | [453] |
| Ethyl acetate | 283.15 | - | 17.63 | [453] |
| Ethyl acetate | 288.15 | - | 21.62 | [453] |
| Ethyl acetate | 293.15 | - | 27.27 | [453] |
| Ethyl acetate | 298.15 | - | 33.89 | [453] |
| Ethyl acetate | 303.15 | - | 42.09 | [453] |
| Ethyl acetate | 308.15 | - | 52.5 | [453] |
| Ethyl acetate | 313.15 | - | 65.57 | [453] |
| Isopropanol | 278.15 | - | 93.8 | [453] |
| Isopropanol | 283.15 | - | 120.1 | [453] |
| Isopropanol | 288.15 | - | 155.3 | [453] |
| Isopropanol | 293.15 | - | 199.5 | [453] |
| Isopropanol | 298.15 | - | 260.5 | [453] |
| Isopropanol | 303.15 | - | 331.7 | [453] |
| Isopropanol | 308.15 | - | 414.2 | [453] |
| Isopropanol | 313.15 | - | 519.2 | [453] |
| Methyl acetate | 278.15 | - | 42.11 | [453] |
| Methyl acetate | 283.15 | - | 52.15 | [453] |
| Methyl acetate | 288.15 | - | 63.13 | [453] |
| Methyl acetate | 293.15 | - | 76.45 | [453] |
| Methyl acetate | 298.15 | - | 93.54 | [453] |
| Methyl acetate | 303.15 | - | 115.0 | [453] |
| Methyl acetate | 308.15 | - | 142.3 | [453] |
| Methyl acetate | 313.15 | - | 177.3 | [453] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 490.9439 |
| PMI2 | 1448.0564 |
| PMI3 | 1508.1379 |
| NPR1 | 0.3255 |
| NPR2 | 0.9602 |
| RadiusOfGyration | 2.8164 |
| InertialShapeFactor | 0.0020 |
| Eccentricity | 0.9455 |
| Asphericity | 0.3289 |
| SpherocityIndex | 0.5280 |
| PBF | 1.0573 |