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Fosinoprilat-d7

CAT: 1596-AR-F02097-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F02097-01Size:10 Units
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CAS Number
1279220-43-7
Synonyms
(2S,4S) -4-cyclohexyl-1- (2- ((R) -hydroxy (4-phenylbutyl) phosphoryl) acetyl) pyrrolidine-2-carboxylicacid-D7; (4S) -4-Cyclohexyl-1-[[hydroxy (4-phenylbutyl-d7) phosphinyl]acetyl]-L-proline; trans-4-Cyclohexyl-1-[[hydroxy (4-phenylbutyl-d7) phosphinyl]acetyl]-L-proline; Fosfenopril-d7; Fosinoprilic-d7 Acid; SQ 27519-d7
Molecular Formula
C23H27D7NO5P
Molecular Weight
442.54
API Name
Fosinopril

Chemical Information

Fosinoprilat-d7
CAS Number1279220-43-7
PubChem CID57369493
IUPAC Name(2R,4R)-4-cyclohexyl-1-[2-[[4,4-dideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-hydroxyphosphoryl]acetyl]pyrrolidine-2-carboxylate
Molecular FormulaC23H33NO5P-
Molecular Weight441.5
XLogP4.5
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge-1
Complexity622
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])CCCP(=O)(CC(=O)N2C[C@H](C[C@@H]2C(=O)[O-])C3CCCCC3)O)[2H])[2H]
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)/p-1/t20-,21+/m0/s1/i1D,3D,4D,9D,10D,11D2
InChIKey
WOIWWYDXDVSWAZ-LXKGALOTSA-M
Chemical Structure
2D Structure
2D structure of Fosinoprilat-d7
CAS: 1279220-43-7
CID: 57369493
Formula: C23H33NO5P-
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass441.25357237
Monoisotopic Mass441.25357237
Topological Polar Surface Area97.7 Ų
Heavy Atom Count30
Formal Charge-1
Complexity622
Isotope Atom Count7
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes