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Perindopril EP Impurity E

CAT: 1299-RM-P180405-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P180405-02Size:25 mg
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CAS Number
1356837-89-2
Synonyms
(2S,3aS,7aS) -1-[ (2S) -2-[[ (1S) -1-[ (1-Methylethoxy) carbonyl]butyl]amino]propanoyl]octahydro-1H-indole-2-carboxylic acid
Molecular Formula
C20H34N2O5
Molecular Weight
382.49
Target Alternative Name
Perindopril
Product Name Synonym
(2S,3aS,7aS) -1-[ (2S) -2-[[ (1S) -1-[ (1-Methylethoxy) carbonyl]butyl]amino]propanoyl]octahydro-1H-indole-2-carboxylic acid

Chemical Information

Perindoprilat Isopropyl Ester
CAS Number1356837-89-2
PubChem CID68523775
IUPAC Name(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-oxo-1-propan-2-yloxypentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC20H34N2O5
Molecular Weight382.5
XLogP1.3
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity550
SMILES
CCC[C@@H](C(=O)OC(C)C)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
InChI
InChI=1S/C20H34N2O5/c1-5-8-15(20(26)27-12(2)3)21-13(4)18(23)22-16-10-7-6-9-14(16)11-17(22)19(24)25/h12-17,21H,5-11H2,1-4H3,(H,24,25)/t13-,14-,15-,16-,17-/m0/s1
InChIKey
CEIYXTQJLBUCRQ-WOYTXXSLSA-N
Chemical Structure
2D Structure
2D structure of Perindoprilat Isopropyl Ester
CAS: 1356837-89-2
CID: 68523775
Formula: C20H34N2O5
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass382.24677219
Monoisotopic Mass382.24677219
Topological Polar Surface Area95.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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