U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33ClO13
Molecular Weight 613.007
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERTUGLIFLOZIN-3-O-GLUCURONIDE

SMILES

CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H]4O)C=C1

InChI

InChIKey=NCWJAFYOAQFTQX-GCGVPRHFSA-N
InChI=1S/C28H33ClO13/c1-2-38-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)29)28-24(35)22(23(34)27(11-30,42-28)12-39-28)41-26-20(33)18(31)19(32)21(40-26)25(36)37/h3-8,10,18-24,26,30-35H,2,9,11-12H2,1H3,(H,36,37)/t18-,19-,20+,21-,22-,23-,24+,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ERTUGLIFLOZIN-3-O-GLUCURONIDE
Common Name English
1,6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-3-O-.BETA.-D-GLUCOPYRANURONOSYL-5-C-(HYDROXYMETHYL)-.BETA.-L-IDOPYRANOSE
Systematic Name English
ERTUGLIFLOZIN METABOLITE M5C
Common Name English
ERTUGLIFLOZIN-3-O-.BETA.-GLUCURONIDE
Common Name English
PF-06481944
Code English
.BETA.-L-IDOPYRANOSE, 1,6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-3-O-.BETA.-D-GLUCOPYRANURONOSYL-5-C-(HYDROXYMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1500090-85-6
Created by admin on Sat Dec 16 15:01:28 GMT 2023 , Edited by admin on Sat Dec 16 15:01:28 GMT 2023
PRIMARY
PUBCHEM
118752988
Created by admin on Sat Dec 16 15:01:28 GMT 2023 , Edited by admin on Sat Dec 16 15:01:28 GMT 2023
PRIMARY
FDA UNII
U7X2VQX83T
Created by admin on Sat Dec 16 15:01:28 GMT 2023 , Edited by admin on Sat Dec 16 15:01:28 GMT 2023
PRIMARY