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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24ClNO10
Molecular Weight 533.912
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOMETHACIN GLUCURONIDE

SMILES

[H][C@@]4(OC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C3=CC=C(OC)C=C13)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=QCBWEVBGELGABM-CZLVRFMKSA-N
InChI=1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H24ClNO10
Molecular Weight 533.912
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:59:16 UTC 2023
Edited
by admin
on Sat Dec 16 13:59:16 UTC 2023
Record UNII
B7MV2JQJ3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOMETHACIN GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2-(1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-INDOL-3-YL)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOLE-3-ACETATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
70691027
Created by admin on Sat Dec 16 13:59:16 UTC 2023 , Edited by admin on Sat Dec 16 13:59:16 UTC 2023
PRIMARY
CAS
75523-11-4
Created by admin on Sat Dec 16 13:59:16 UTC 2023 , Edited by admin on Sat Dec 16 13:59:16 UTC 2023
PRIMARY
FDA UNII
B7MV2JQJ3W
Created by admin on Sat Dec 16 13:59:16 UTC 2023 , Edited by admin on Sat Dec 16 13:59:16 UTC 2023
PRIMARY
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