Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 03:45:47 UTC |
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Update Date | 2016-11-09 01:15:29 UTC |
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Accession Number | CHEM016861 |
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Identification |
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Common Name | Ramipril |
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Class | Small Molecule |
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Description | Ramipril is a prodrug belonging to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is metabolized to ramiprilat in the liver and, to a lesser extent, kidneys. Ramiprilat is a potent, competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Ramipril may be used in the treatment of hypertension, congestive heart failure, nephropathy, and to reduce the rate of death, myocardial infarction and stroke in individuals at high risk of cardiovascular events. |
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Contaminant Sources | - HMDB Contaminants - Urine
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(2S-(1(R*(r*)),2alpha,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid | ChEBI | Altace | ChEBI | Ramiprilum | ChEBI | Tritace | ChEBI | (2S-(1(R*(r*)),2a,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate | Generator | (2S-(1(R*(r*)),2a,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid | Generator | (2S-(1(R*(r*)),2alpha,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate | Generator | (2S-(1(R*(r*)),2α,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylate | Generator | (2S-(1(R*(r*)),2α,3abeta,6abeta))-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid | Generator | Almirall brand OF ramipril | HMDB | Delix | HMDB | Hoechst brand OF ramipril | HMDB | Monarch brand OF ramipril | HMDB | Zabien | HMDB | Aventis brand OF ramipril | HMDB | Carasel | HMDB | HOE 498 | HMDB | HOE-498 | HMDB | Triatec | HMDB | Vesdil | HMDB | Astra brand OF ramipril | HMDB | Promed brand OF ramipril | HMDB | Acovil | HMDB | AstraZeneca brand OF ramipril | HMDB | Aventis pharma brand OF ramipril | HMDB | Ramace | HMDB |
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Chemical Formula | C23H32N2O5 |
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Average Molecular Mass | 416.511 g/mol |
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Monoisotopic Mass | 416.231 g/mol |
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CAS Registry Number | 87333-19-5 |
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IUPAC Name | (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid |
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Traditional Name | ramipril |
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SMILES | [H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC |
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InChI Identifier | InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1 |
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InChI Key | HDACQVRGBOVJII-JBDAPHQKSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Alpha-amino acid ester
- N-acyl-l-alpha-amino acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Pyrrolidine carboxylic acid
- Pyrrolidine carboxylic acid or derivatives
- N-acylpyrrolidine
- Fatty acid ester
- Aralkylamine
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Benzenoid
- Fatty acyl
- Tertiary carboxylic acid amide
- Pyrrolidine
- Amino acid or derivatives
- Carboxamide group
- Carboxylic acid ester
- Amino acid
- Azacycle
- Secondary aliphatic amine
- Carboxylic acid
- Organoheterocyclic compound
- Secondary amine
- Hydrocarbon derivative
- Amine
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9154000000-0fd268c0fd4553ce3ab0 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-014i-5111900000-7df272465d895b3cfd2b | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-0002-1897100000-b1c2f0fcf086f6260572 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-02ai-3951000000-05bdaffd016f2d5b5d42 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-00lr-3930000000-ea57777ac9a14b1e9083 | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-014i-0300900000-971088f84d244b7183fe | Spectrum | LC-MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-001i-0792400000-eb2eba23ddd5b9b9b1ce | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0568900000-ddc98c0a9a0a339f0dd2 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-053u-3982000000-245405250f246de18bfa | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06r6-3910000000-a34aa1853535d9227376 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-1019400000-6df2aca7d66607a7a4e1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0i91-2529100000-4d27b82aeecd981101c1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udj-3911000000-0756695a4b95e60fd11c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014l-0339700000-452e8e2b82c270cd994f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0007-1978200000-050e9a36f1e4e960836a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-066u-5911000000-74a534a7b59ef1f2a03c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0009700000-a71f2ed8451e5e6d162a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-016r-1889000000-8f9e12a4e55869c7da6f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-2931000000-820a55e837269565502b | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | DB00178 |
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HMDB ID | HMDB0014324 |
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FooDB ID | FDB009079 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Ramipril |
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Chemspider ID | 4514937 |
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ChEBI ID | 8774 |
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PubChem Compound ID | 5362129 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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