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Libenzapril

CAT: 1410-M34314-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Libenzapril (CGS 16617) is a potent angiotensin-converting enzyme inhibitor used to study myocardial injury.
CAS Number
109214-55-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
363.41
Molecular Formula
C18H25N3O5
Notes
Research use only, not for human use.
Receptor
Angiotensin-converting Enzyme (ACE)

Chemical Information

Libenzapril

Libenzapril is a dipeptide.

CAS Number109214-55-3
PubChem CID71320
IUPAC Name(2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
Molecular FormulaC18H25N3O5
Molecular Weight363.4
XLogP-3.9
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity513
SMILES
C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCCCN)C(=O)O)CC(=O)O
InChI
InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1
InChIKey
AXTCRUUITQKBAV-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Libenzapril
CAS: 109214-55-3
CID: 71320
Formula: C18H25N3O5
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP3-3.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass363.17942091
Monoisotopic Mass363.17942091
Topological Polar Surface Area133 Ų
Heavy Atom Count26
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5777529Libenzapril

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