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Perindopril EP Impurity P

CAT: 1596-AR-P33646-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33646-01Size:250 Units
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CAS Number
82978-68-5
Synonyms
(2RS,3aRS,7aRS) -, (2′SR) -, (1′′RS) -: (±) -2′-epi-perindopril (as per EP)
Molecular Formula
C19H32N2O5
Molecular Weight
368.5
API Name
Perindopril

Chemical Information

1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid
CAS Number82978-68-5
PubChem CID4169159
IUPAC Name1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC19H32N2O5
Molecular Weight368.5
XLogP0.9
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity524
SMILES
CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
InChI
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)
InChIKey
IPVQLZZIHOAWMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid
CAS: 82978-68-5
CID: 4169159
Formula: C19H32N2O5
MW: 368.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight368.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass368.23112213
Monoisotopic Mass368.23112213
Topological Polar Surface Area95.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes