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Ramipril impurity C

CAT: 0926-ZDA74235-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZDA74235-02Size:50 mg
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CAS Number
99742-35-5
Smiles
C1=CC=C (C=C1) C2=NC (=C (C=C2) C (=O) O) C (F) F
Molecular Formula
C23H38N2O5
Molecular Weight
422.6 g/mol
Controlled
No

Chemical Information

Hexahydroramipril
CAS Number99742-35-5
PubChem CID15068009
IUPAC Name(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
Molecular FormulaC23H38N2O5
Molecular Weight422.6
XLogP2.6
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
InChI
InChI=1S/C23H38N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h15-20,24H,3-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
InChIKey
REDFEBRIUVBHFO-JBDAPHQKSA-N
Chemical Structure
2D Structure
2D structure of Hexahydroramipril
CAS: 99742-35-5
CID: 15068009
Formula: C23H38N2O5
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass422.27807232
Monoisotopic Mass422.27807232
Topological Polar Surface Area95.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity619
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