Cas no 131064-74-9 (Benazepril Free base)
Benazepril Free base structure
Product Name:Benazepril Free base
CAS No:131064-74-9
MF:C24H28N2O5
MW:424.489526748657
CID:102432
PubChem ID:36688097
Update Time:2025-04-18
Benazepril Free base Chemical and Physical Properties
Names and Identifiers
-
- 1H-1-Benzazepine-1-aceticacid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-,[R-(R*,S*)]- (9CI)
- 1H-1-Benzazepine-1-aceticacid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro...
- benazepril
- 1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, [R-(R*,S*)]-
- 131064-74-9
- Q27251716
- AKOS015907461
- Benazepril Free base
- UNII-15B0UK1949
- CGP-42454A
- 1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (R-(R*,S*))-
- 2-((R)-3-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid
- 15B0UK1949
- 2-[(3R)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
- AC-7618
- SCHEMBL10241854
- ((3RS)-3-(((1SR)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic-acid
-
- Inchi： 1S/C24H28N2O5/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)/t19-,20+/m1/s1
- InChI Key： XPCFTKFZXHTYIP-UXHICEINSA-N
- SMILES： O=C1[C@@H](CCC2C=CC=CC=2N1CC(=O)O)N[C@H](C(=O)OCC)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 424.2
- Monoisotopic Mass: 424.2
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 10
- Complexity: 619
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95.9A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.26
- Boiling Point: 691.2°C at 760 mmHg
- Flash Point: 371.8°C
- Refractive Index: 1.607
Benazepril Free base Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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