chempirical

Repaglinide

C27H36N2O4CAS 135062-02-1452.60 g/mol

Open in Covalent MOL file
OOHNNOOH
Carboxylic acidEtherTertiary amine

Properties

Molecular formula
C27H36N2O4
Molar mass
452.60 g/mol
Exact mass
452.2675 Da
Melting point
132 °C
logP
6.06Crippen estimate
Polar surface area
82.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
135062-02-1
SMILES
CCOc1cc(CC(O)=N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
InChIKey
FAEKWTJYAYMJKF-QHCPKHFHSA-N
InChI
InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-
  • Benzoic acid, 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, (S)-
  • 2-Ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid
  • AG-EE 623ZW
  • Prandin
  • NovoNorm
  • (S)-(+)-2-Ethoxy-4-[[[N-[1-(2-piperidinophenyl)-3-methylbutyl]amino]carbonyl]methyl]benzoic acid
  • AGEE 623
  • Novolon
  • Eurepa
  • (S)-(+)-Repaglinide
  • GlucoNorm
  • Europa 0.5
  • Europa 1
  • (S)-2-Ethoxy-4-[2-[[3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid
  • Enyglid

Work with Repaglinide

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

2-Ethoxybenzoic acid134-11-239 % similar (αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine147769-93-539 % similar L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)219921-94-538 % similar 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid99469-99-536 % similar 3,4-Diethoxybenzeneacetic acid38464-04-933 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-432 % similar 2-Propoxybenzoic acid2100-31-432 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-832 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook