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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl3N2O8
Molecular Weight 507.706
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-O-GLUCURONIDE-TRICLOCARBAN

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(NC(=O)NC3=CC=C(Cl)C=C3)C=C(Cl)C(Cl)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=XZHQVDPNCJWGLS-RNGZQALNSA-N
InChI=1S/C19H17Cl3N2O8/c20-7-1-3-8(4-2-7)23-19(30)24-11-5-9(21)10(22)6-12(11)31-18-15(27)13(25)14(26)16(32-18)17(28)29/h1-6,13-16,18,25-27H,(H,28,29)(H2,23,24,30)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-O-GLUCURONIDE-TRICLOCARBAN
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4,5-DICHLORO-2-((((4-CHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENYL
Systematic Name English
6-HYDROXY-3,4,4'-TRICHLOROCARBANILIDE GLUCURONIDE
Common Name English
4,5-DICHLORO-2-((((4-CHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
6U9Y4LH88T
Created by admin on Sat Dec 16 18:02:20 GMT 2023 , Edited by admin on Sat Dec 16 18:02:20 GMT 2023
PRIMARY
PUBCHEM
154731615
Created by admin on Sat Dec 16 18:02:20 GMT 2023 , Edited by admin on Sat Dec 16 18:02:20 GMT 2023
PRIMARY
CAS
63348-34-5
Created by admin on Sat Dec 16 18:02:20 GMT 2023 , Edited by admin on Sat Dec 16 18:02:20 GMT 2023
PRIMARY