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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33ClO12
Molecular Weight 584.9977
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

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

SMILES

CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O3)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O

InChI

InChIKey=ZYZULHSUKTZGTR-PTNNFGGUSA-N
InChI=1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H33ClO12
Molecular Weight 584.9977
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:22:15 UTC 2021
Edited
by admin
on Fri Jun 25 22:22:15 UTC 2021
Record UNII
X42P3B148J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAPAGLIFLOZIN 3-O-GLUCURONIDE
Common Name English
BMS-801576
Common Name English
D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-3-O-.BETA.-D-GLUCOPYRANURONOSYL-, (1S)-
Systematic Name English
DAPAGLIFLOZIN M-15 METABOLITE
Common Name English
Code System Code Type Description
FDA UNII
X42P3B148J
Created by admin on Fri Jun 25 22:22:15 UTC 2021 , Edited by admin on Fri Jun 25 22:22:15 UTC 2021
PRIMARY
PUBCHEM
91617971
Created by admin on Fri Jun 25 22:22:15 UTC 2021 , Edited by admin on Fri Jun 25 22:22:15 UTC 2021
PRIMARY
CAS
1351438-75-9
Created by admin on Fri Jun 25 22:22:15 UTC 2021 , Edited by admin on Fri Jun 25 22:22:15 UTC 2021
PRIMARY
Related Record Type Details
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