Systematic / IUPAC Name: 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
ID: Reference2288
Other Names:
Prandin;
Novonorm;
Gluconorm;
Repaglinidum;
Actulin
; more
Formula: C27H36N2O4
Class: Therapeutics/Prescription Drugs
Repaglinide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Plus Orbitrap |
No. of Spectral Trees | 3 |
No. of Spectra | 179 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 2/18/2015 10:23:49 AM |
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 |
InChI Key | FAEKWTJYAYMJKF-QHCPKHFHSA-N |
Canonical SMILES | CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O |
CAS | 135062021 |
Splash | |
Other Names |
Prandin; Novonorm; Gluconorm; Repaglinidum; Actulin; (+)-2-Ethoxy-α-{[(S)-α-isobutyl-o-piperidinobenzyl]carbamoyl}-p-toluic acid; (S)-2-Ethoxy-4-[2-({3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid; Benzoic acid, 2-ethoxy-4-[2-({3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl], (S)-; (S)-(+)-2-Ethoxy-4-{N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl}benzoic acid; 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid; (S)-2-Ethoxy-4-(2-{3-methyl-1-[2-(piperidin-1-yl)phenyl]butylamino}-2-oxoethyl)benzoic acid; 2-Ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid; Benzoic acid, 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]- |
ChEMBL | CHEMBL1272 |
ChemSpider | 59377 |
DrugBank | DB00912 |
KEGG | C07670; D00594 |
Wikipedia | Repaglinide |
HMDb | HMDB15048 |
PubChem | 65981 |
ChemIDPlus | 135062021 |