Moexiprilat

HCID 55331

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Basic information

CAS: 103775-14-0
Standard SMILES: COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O)C2
InChIKey: CMPAGYDKASJORH-YSSFQJQWSA-N
Molecular formula: C25H30N2O7
Average molar mass: 470.5 g/mol
Monoisotopic mass: 470.2053013

Overview

The active metabolite of the prodrug [Moexipril].

Names & identifiers

Preferred name: Moexiprilat
IUPAC: (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
English name: MOEXIPRILAT HYDRATE
Molecular formula: C25H30N2O7
Molecular weight: 470.52

Names & synonyms

Moexiprilat103775-14-0RS-10029moexiprilateDTXSID6057611H3753190JSDTXCID7031400(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acidRS 10029moexiprilatum(3S)-2-((2S)-2-(((2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acidRefChem:57152

Show more names

Moexipril USP RC AMoexipril Related CoMpound AMoexipril USP Related Compound A (Moexiprilat)Moexipril Related Compound A ((3S)-2-{(2S)-N-[(1S)-1-Carboxy-3-phenylpropyl]alanyl}-1,2,3,4-tetrahy (1445608)2-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic Acid Hydrate(3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]aMino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-diMethoxy-3-isoquinolinecarboxylic Acid3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (3S)-(3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-(phenyl-d5)propyl]aMino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-diMethoxy-3-isoquinolinecarboxylic Acid

(3S)-2-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2-(2-(1-carboxy-3-phenylpropyl)amino-1-oxopropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidMoexiprilat Hydrate(3S)-2-((2S)-N-((1S)-1-Carboxy-3-phenylpropyl)alanyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acidMoexiprilat [INN]Moexiprilat [INN:BAN]UNII-H3753190JS

Database identifiers

CAS: 103775-14-0
PubChem CID: 55331
DTXSID: DTXSID6057611
ChEMBL: CHEMBL1201405
UNII: H3753190JS
Nikkaji: J546.962G

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 125 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 711

Physicochemical properties

Melting point: 145 · 145-1700C
Boiling point: 717.398 · 717.398±60.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility: DMSO: solubleMethanol: soluble
pka: 2.19 · 2.190±0.10(predicted)
Major Application: pharmaceutical
InChIKey: CMPAGYDKASJORH-YSSFQJQWSA-N
SMILES: N2([C@@H](Cc3c(cc(c(c3)OC)OC)C2)C(=O)O)C(=O)[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C
FDA UNII: 3753190 JS · H3753190JS
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
WGK Germany: 3 · WGK 3
HS Code: 2933497050 · 2933497050
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk: WGK 3
hs_code: 2933497050
Storage Class: 13 - Non Combustible Solids

Chemistry & industry

Pharmacology

FDA Pharmacological Classification · 5 items

H3753190JS

MOEXIPRILAT

Established Pharmacologic Class [EPC] - Angiotensin Converting Enzyme Inhibitor

Mechanisms of Action [MoA] - Angiotensin-converting Enzyme Inhibitors

Moexiprilat is an Angiotensin Converting Enzyme Inhibitor. The mechanism of action of moexiprilat is as an Angiotensin-converting Enzyme Inhibitor.

Applications · 3 items

UsesAnalogue of Quinapril

UsesMoexiprilat is an angiotensin converting enzyme (ACE) inhibitor; dimethoxy analog of Quinapril. Antihypertensive.

UsesAngiotensin converting enzyme (ACE) inhibitor; dimethoxy analog of Quinapril. Antihypertensive.

Suppliers13 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

Cato Research Chemicals Inc.020-81960175 · [email protected]

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Compound notes

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