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Perindopril impurity 1 (Standard)

CAT: 0804-HY-Z7066RSize: 1 EachDry Ice: NoHazardous: No
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Description
(S) -Ethyl 2- ((3S,5aS,9aS,10aS) -3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2 (1H) -yl) pentanoate (Perindopril Impurity) (Standard) is the analytical standard of (S) -Ethyl 2- ((3S,5aS,9aS,10aS) -3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2 (1H) -yl) pentanoate (Perindopril Impurity) . This product is intended for research and analytical applications.
CAS Number
129970-98-5
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=C(N1[C@@]2([H])C[C@@]3([H])[C@]1([H])CCCC3)[C@H](C)N([C@H](C(OCC)=O)CCC)C2=O
Molecular Formula
C19H30N2O4
Molecular Weight
350.45
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Perindopril diketopiperazine
CAS Number129970-98-5
PubChem CID57703964
IUPAC Nameethyl (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoate
Molecular FormulaC19H30N2O4
Molecular Weight350.5
XLogP2.9
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
CCC[C@@H](C(=O)OCC)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C
InChI
InChI=1S/C19H30N2O4/c1-4-8-15(19(24)25-5-2)20-12(3)17(22)21-14-10-7-6-9-13(14)11-16(21)18(20)23/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15-,16-/m0/s1
InChIKey
BSZZSBSELAVBAG-QXKUPLGCSA-N
Chemical Structure
2D Structure
2D structure of Perindopril diketopiperazine
CAS: 129970-98-5
CID: 57703964
Formula: C19H30N2O4
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass350.22055744
Monoisotopic Mass350.22055744
Topological Polar Surface Area66.9 Ų
Heavy Atom Count25
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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