CAS Number62571-86-2
SynonymsMFCD00168073; EINECS 263-607-1; sa333; (S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline; cesplon; capoten; acediur; 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline; acepril; Hipertil; dilabar; 1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-proline; aceplus; 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S); acepress; lopril; 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline; 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline
Molecular FormulaC9H15NO3S
Molecular Weight217.29
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point427.0±40.0 °C at 760 mmHg
Melting Point104-108 °C (lit.)
Appearancepowder
EINECS263-607-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 62571-86-2 |
| Catalog No. | 2A-9009567 |
| Chinese Name | 卡托普利 |
| Synonyms | MFCD00168073; EINECS 263-607-1; sa333; (S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline; cesplon; capoten; acediur; 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline; acepril; Hipertil; dilabar; 1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-proline; aceplus; 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S); acepress; lopril; 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline; 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline |
| Molecular Formula | C9H15NO3S |
| Molecular Weight | 217.29 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 427.0±40.0 °C at 760 mmHg |
| Melting Point | 104-108 °C (lit.) |
| Appearance | powder |
| Water Solubility | soluble |
| Storage Condition | Store in an airtight container in a cool, dry plac |
| Application | Captopril is an angiotensin-converting enzyme (ACE) inhibitor. |
| EINECS | 263-607-1 |
| HTC | 2933990090 |
| PubChem ID | 57654003 |
| MDL Number | MFCD00168073 |
| SMILES | C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O |
| 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 |
| InChI Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Beilstein/REAXYS | 477887 |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | Transport |
| MSDS | msds/9567_1_62571_86_2.pdf |
| Bioactivity | Captopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE).Target: ACECaptopril has been shown to have similar morbidity and mortality benefits to those of diuretics and beta-blockers in hypertensive patients. Captopril has been shown to delay the progression of diabetic nephropathy, and enalapril and lisinopril prevent the development of nephropathy in normoalbuminuric patients with diabetes [1]. an equimolar ratio of the cis and trans states of captopril exists in solution and that the enzyme selects only the trans state of the inhibitor that presents architectural and stereoelectronic complementarity with its substrate binding groove [2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Angiotensin-converting Enzyme (ACE) Research Areas >> Neurological Disease References [1]. Tzakos, A.G., et al., The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett, 2006. 16(19): p. 5084-7. [2]. Song, J.C. and C.M. White, Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet, 2002. 41(3): p. 207-24. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 427.0±40.0 °C at 760 mmHg Melting Point 104-108 °C(lit.) Molecular Formula C9H15NO3S Molecular Weight 217.285 Flash Point 212.1±27.3 °C Exact Mass 217.077271 PSA 96.41000 LogP 0.27 Vapour Pressure 0.0±2.2 mmHg at 25°C Index of Refraction 1.551 InChIKey FAKRSMQSSFJEIM-RQJHMYQMSA-N SMILES CC(CS)C(=O)N1CCCC1C(=O)O Water Solubility soluble |
| Use of | Captopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE).Target: ACECaptopril has been shown to have similar morbidity and mortality benefits to those of diuretics and beta-blockers in hypertensive patients. Captopril has been shown to delay the progression of diabetic nephropathy, and enalapril and lisinopril prevent the development of nephropathy in normoalbuminuric patients with diabetes [1]. an equimolar ratio of the cis and trans states of captopril exists in solution and that the enzyme selects only the trans state of the inhibitor that presents architectural and stereoelectronic complementarity with its substrate binding groove [2]. Properties Articles161 Name captopril Synonym More Synonyms Captopril Biological Activity Description Captopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE).Target: ACECaptopril has been shown to have similar morbidity and mortality benefits to those of diuretics and beta-blockers in hypertensive patients. Captopril has been shown to delay the progression of diabetic nephropathy, and enalapril and lisinopril prevent the development of nephropathy in normoalbuminuric patients with diabetes [1]. an equimolar ratio of the cis and trans states of captopril exists in solution and that the enzyme selects only the trans state of the inhibitor that presents architectural and stereoelectronic complementarity with its substrate binding groove [2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Angiotensin-converting Enzyme (ACE) Research Areas >> Neurological Disease References [1]. Tzakos, A.G., et al., The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett, 2006. 16(19): p. 5084-7. [2]. Song, J.C. and C.M. White, Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet, 2002. 41(3): p. 207-24. Chemical & Physical Properties Molecular Formula C9H15NO3S Exact Mass 217.077271 PSA 96.41000 Index of Refraction 1.551 InChIKey FAKRSMQSSFJEIM-RQJHMYQMSA-N Water Solubility soluble |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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