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Fosfenopril

CAT: 0607-BA3549-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3549-10Size:10 mg
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CAS Number
95399-71-6
Form
A solid
Molecular Formula
C23H34NO5P
Molecular Weight
435.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fosinoprilat

Fosinoprilat is a phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It is a member of phosphinic acids and a L-proline derivative.

CAS Number95399-71-6
PubChem CID62956
IUPAC Name(2S,4S)-4-cyclohexyl-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC23H34NO5P
Molecular Weight435.5
XLogP3.8
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity627
SMILES
C1CCC(CC1)[C@@H]2C[C@H](N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O
InChI
InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
InChIKey
WOIWWYDXDVSWAZ-RTWAWAEBSA-N
Chemical Structure
2D Structure
2D structure of Fosinoprilat
CAS: 95399-71-6
CID: 62956
Formula: C23H34NO5P
MW: 435.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass435.21746018
Monoisotopic Mass435.21746018
Topological Polar Surface Area94.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity627
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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