Basic information
- CAS
80830-42-8- Standard SMILES
O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS- InChIKey
BSHDUMDXSRLRBI-JOYOIKCWSA-N- Molecular formula
- C13H15NO4S2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.04425031
Overview
Rentiapril is a small molecule drug. The usage of the INN stem '-pril' in the name indicates that Rentiapril is a angiotensin-converting enzyme inhibitor. Rentiapril has a monoisotopic molecular weight of 313.04 Da.
Names & identifiers
- Preferred name
- Fentiapril
- IUPAC
- (2R,4R)-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
- English name
- Rentiapril
- Molecular formula
- C13H15NO4S2
- Molecular weight
- 313.39
Names & synonyms
Rentiapril80830-42-8FentiaprilSA-446D0TAM1017BDTXSID80230646RefChem:921535DTXCID101531372-(2'-Hydroxyphenyl)-3-(3-mercaptopropanoyl)-4-thiazolidine carboxylic acidRentiapril [INN](2R,4R)-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acidSA 466
Show more names
DE-040Brn 5762860(2R,4R)-2-(o-Hydroxyphenyl)-3-(3-mercaptopropionyl)-4-thiazolidinecarboxylic acid
SA 446PrescrinA1JPY(2R,4R)-2-(2-Hydroxyphenyl)-3-(3-mercaptopropanoyl)thiazolidine-4-carboxylic acidRentiaprilum [Latin]RentiaprilumSA-446 racemateCCRIS 2341
Database identifiers
- CAS
80830-42-8- PubChem CID
- 71244
- DTXSID
DTXSID80230646- ChEMBL
CHEMBL309962- UNII
- D0TAM1017B
- Nikkaji
- J23.590C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 147 °C · 147°C (rough estimate)
- Boiling point
- 553.7 · 553.7±50.0 °C(Predicted)
- Density
- 1.3714 · 1.3714 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- storage temp.
- -20 °C, · Store at -20°C, protect from light, stored under nitrogen
- solubility
- 200 mg/mL · DMSO : 200 mg/mL (638.18 mM; Need ultrasonic)
- pka
- 3.02 · 3.02±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 TAM1017B · D0TAM1017B
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Applications
UsesRentiapril is an orally active angiotensin converting enzyme (ACE) inhibitor with antihypertensive activity[1][2].
Upstream & downstream products
Upstream raw materials
Suppliers13 total
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
Related reactions
1 records
Compound notes
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