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Benazepril hydrochloride

CAT: 0127-BUP17675Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17675Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86541-74-4
Synonyms
CGS 14824A HCl, Benazepril HCl, CGS14824A
Purity
=95%
Smiles
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O

Chemical Information

Benazepril Hydrochloride

Benazepril hydrochloride is a hydrochloride salt resulting from the reaction of benazepril with 1 mol eq. of hydrogen chloride. It is used as a prodrug for angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It contains a benazepril(1+).

CAS Number86541-74-4
PubChem CID5362123
IUPAC Name2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride
Molecular FormulaC24H29ClN2O5
Molecular Weight460.9
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl
InChI
InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1
InChIKey
VPSRQEHTHIMDQM-FKLPMGAJSA-N
Chemical Structure
2D Structure
2D structure of Benazepril Hydrochloride
CAS: 86541-74-4
CID: 5362123
Formula: C24H29ClN2O5
MW: 460.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass460.1764997
Monoisotopic Mass460.1764997
Topological Polar Surface Area95.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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