chempirical

Fosinopril sodium

C30H45NNaO7PCAS 88889-14-9585.65 g/mol

Open in Covalent MOL file
OOOPOONO−ONa+
AmideCarboxylic acidEster

Properties

Molecular formula
C30H45NNaO7P
Molar mass
585.65 g/mol
Exact mass
585.2831 Da
logP
5.74Crippen estimate
Polar surface area
110.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
14
Stereocentres
S, R, S, Sin SMILES atom order

Identifiers

CAS number
88889-14-9
SMILES
CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C([O-])=O)C(C)C.[Na+]
InChIKey
NIDZYXQFQSHBTG-WATAJHSMSA-N
InChI
InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/t25-,26+,30+,39-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • L-Proline, 4-cyclohexyl-1-[2-[(R)-[(1S)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, sodium salt (1:1), (4S)-
  • L-Proline, 4-cyclohexyl-1-[[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, sodium salt, [1[S*(R*)],2α,4β]-
  • L-Proline, 4-cyclohexyl-1-[[(R)-[(1S)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, sodium salt, (4S)-
  • SQ 28555
  • Monopril
  • Staril
  • Acecor
  • Secorvas
  • Eosinopril
  • Fosenopril sodium

Work with Fosinopril sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fosinopril98048-97-678 % similar 2-[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid123599-78-056 % similar Mitiglinide calcium145525-41-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook