Captopril
PubChem CID: 44093
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| Compound Synonyms | captopril, 62571-86-2, Capoten, L-Captopril, Captopryl, Lopirin, Cesplon, Garranil, Acepress, Captolane, Captoril, Tensoprel, Dilabar, Hypertil, Tenosbon, Alopresin, Captoprilum, Acepril, Apopril, Lopril, Acediur, Aceplus, Asisten, Farcopril, Hypopress, Isopresol, Tensiomin, Tensobon, Zapto, (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid, SQ-14225, Captoprilum [INN-Latin], D-2-Methyl-3-mercaptopropanoyl-L-proline, SQ 14225, D-3-Mercapto-2-methylpropanoyl-L-proline, Novocaptopril, Captomax, SQ 14,225, Mepha, Lopirin [Switzerland], C9H15NO3S, SA 333, D-3-Mercapto-2-methylpropionylproline, 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline, (2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline, 3-Mercapto-2-methylpropionyl-proline, CHEBI:3380, HSDB 6527, L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-, UNII-9G64RSX1XD, EINECS 263-607-1, 9G64RSX1XD, Hipertil, NSC-757419, 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline, DTXSID1037197, C09AA01, 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline, L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-, SA-333, (S)-1-((S)-3-mercapto-2-methylpropanoyl)pyrrolidine-2-carboxylic acid, CHEMBL1560, MLS000069484, DTXCID9017197, (-)-Captopril, 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline, Captopril [USAN:USP:INN:BAN:JAN], NSC 757419, Lopirin (Switzerland), (S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline, L-Proline, 1-((2S)-3-mercapto-2-methyl-1-oxopropyl)-, NCGC00023654-04, SMR000059061, SQ -14225, Captoprilum (INN-Latin), CAPTOPRIL (MART.), CAPTOPRIL [MART.], CAPTOPRIL (USP-RS), CAPTOPRIL [USP-RS], 1-Pyrrolidinecarboxylic acid, 1-(D-3-mercapto-2-methyl-1-propionyl)-, L-(S,S)-, CAPTOPRIL (EP MONOGRAPH), CAPTOPRIL (USP IMPURITY), CAPTOPRIL [EP MONOGRAPH], CAPTOPRIL [USP IMPURITY], CAPTOPRIL (USP MONOGRAPH), CAPTOPRIL [USP MONOGRAPH], Captril, Captopril (Capoten), MFCD00168073, (2S)-1-((2S)-2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid, Captopril (USAN:USP:INN:BAN:JAN), Capozide (Salt/Mix), X8Z, Apopril (TN), Capoten (TN), 1-[(2s)-3-mercapto-2-methylpropionyl]-l-proline, SR-01000075603, component of Captea (Salt/Mix), component of Acezide (Salt/Mix), component of Ecazide (Salt/Mix), 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S), Captopril,(S), Prestwick_103, Capoten, L-Captopril, CAPTORPIL, Captopril (Standard), SQ14534, 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 #, Epitope ID:114065, UPCMLD-DP003, C 4042, CAPTOPRIL [WHO-DD], CAPTOPRIL [WHO-IP], Lopac0_000302, N-[(S)-3-Mercapto-2-methylpropionyl]-L-proline, 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, CAPTOPRIL [ORANGE BOOK], Captopril for system suitability, UPCMLD-DP003:001, BDBM21642, HMS500K10, HY-B0368R, KBio1_000208, KBio2_001168, KBio2_003736, KBio2_006304, KBio3_002196, 1j37, NINDS_000208, HMS1921C12, HMS2089P19, HMS2092I12, HMS2095C19, HMS2233I04, HMS3259G10, HMS3260N06, HMS3712C19, Pharmakon1600-01500682, CAPTOPRILUM [WHO-IP LATIN], HY-B0368, MSK10103, Tox21_110890, Tox21_500302, BBL033600, CCG-39104, EI-213, HB3636, NSC719847, NSC757419, s2051, STK802012, AKOS005622581, Captopril, >=98% (HPLC), powder, Tox21_110890_1, BCP9000485, CS-2425, DB01197, FC19675, KS-5025, LP00302, NC00554, 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, 1ST10103, AC-12047, AC-32120, SBI-0050290.P004, Captopril, meets USP testing specifications, EU-0100302, NS00008201, BIM-0050290.0001, C06867, D00251, EN300-118718, AB00052156-16, AB00052156_17, AB00052156_18, 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, Captopril, British Pharmacopoeia (BP) Reference Standard, Z1269124804, Captopril, European Pharmacopoeia (EP) Reference Standard, ([2S]-N-[3-Mercapto-2-methylpropionyl]-L-proline, SQ-14225, Captopril, United States Pharmacopeia (USP) Reference Standard, (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, 263-607-1 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P47820, P12821, P09960, P12822, Q9BYF1, P00734, P25095, P00797, P08049, P42892, P07861, P08473, P19602, Q92887, O15245, P44514, n.a., P46059, P51574, Q79MP6, Q93T40, O94956, Q9NPD5, Q9Y6L6, Q8R0V5, P37136, P08253, P35354, P23219, Q9K2N0, C7C422, O95342, O15438, O15439, P62593, A8DS27, P08684, P10635, P11712, P0DTD1 |
| Iupac Name | (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1166, NPT2520, NPT670, NPT6544, NPT5879, NPT31, NPT30 |
| Xlogp | 0.3 |
| Molecular Formula | C9H15NO3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.608 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.328 |
| Compound Name | Captopril |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 217.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.077 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 217.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1373979999999997 |
| 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+/m1/s1 |
| Smiles | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phyllanthus Niruri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all