2-((S)-3-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride
Basic information
- CAS
86541-77-7- Standard SMILES
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl- InChIKey
VPSRQEHTHIMDQM-CMXBXVFLSA-N- Molecular formula
- C24H29ClN2O5
- Average molar mass
- 460.9 g/mol
- Monoisotopic mass
- 460.1764997
Names & identifiers
- Preferred name
- 2-((S)-3-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride
- IUPAC
- 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride
- English name
- (1R,3S)-Benazepril Hydrochloride
- Molecular formula
- C24H28N2O5HCl
- Molecular weight
- 460.96
Names & synonyms
86541-77-7(1R,3S)-Benazepril Hydrochloride2-((S)-3-(((R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochlorideC24H29ClN2O52-((S)-3-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride[(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic Acid Hydrochloride ((1R,3S)-Benazepril Hydrochloride)2-[(S)-3-{[(R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl]acetic acid hydrochloride(1R,3S)-Benazepril HclRMH89YXQ62CID 55513AKOS015847047
Show more names
Benazepril USP RC BBenner Pury hydrochlorideBenazepril HydrochloridecBenazepril Related CoMpound BBenazepril USP Related Compound B(1R,3S)-Benazepril Hydrochloride USP/EP/BPBenazepril Impurity 8(Benazepril USP RC B)Benazepril Related Compound B as Hydrochloride
Benazepril Related Compound B [USP-RS]1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, (3S)-FE151358Benazepril Related Compound B hydrochloride(3S) 3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid, monohydrochloride(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid hydrochloride (1:1)1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, hydrochloride (1:1), (3S)-1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, [S-(R*,S*)]
Database identifiers
- CAS
86541-77-7- PubChem CID
- 55513
- UNII
- RMH89YXQ62
Properties
Computed structural properties
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Melting point
- 181 · 181-183 °C(Solv: 2-butanone (78-93-3))
- storage temp.
- 2 · 2-8°C
- form
- powder
- Major Application
- pharmaceutical small molecule
- InChIKey
- VPSRQEHTHIMDQM-CMXBXVFLSA-N
- SMILES
- Cl.N1(c2c(cccc2)CC[C@@H](C1=O)N[C@H](CCc3ccccc3)C(=O)OCC)CC(=O)O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- HS Code
- 2933790002 · 2933790002
- Storage Class
- 11 · 11 - 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
- hs_code
- 2933790002
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses(1R,3S)-Benazepril Hydrochloride is an isomer of Benazepril (B119750), an angiotensin converting enzyme inhibitor and a antihypertensive agent.
General DescriptionBenazepril hydrochloride,(3S)-3-[[(1S)-1-carbethoxy-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid 3-ethylester hydrochloride (Lotensin), is metabolized rapidly to theactive diacid benazaprilat. As with the ACE prodrugs, nomutagenicity has been found, even though these drugs crossthe placenta.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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