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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl3N2O8
Molecular Weight 507.7064
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

c1cc(ccc1Cl)NC(=Nc2cc(c(cc2O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)Cl)Cl)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

Molecular Formula C19H17Cl3N2O8
Molecular Weight 507.7064
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 Fri Jun 25 23:46:41 UTC 2021
Edited
by admin
on Fri Jun 25 23:46:41 UTC 2021
Record UNII
6U9Y4LH88T
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 23:46:41 UTC 2021 , Edited by admin on Fri Jun 25 23:46:41 UTC 2021
PRIMARY
PUBCHEM
154731615
Created by admin on Fri Jun 25 23:46:41 UTC 2021 , Edited by admin on Fri Jun 25 23:46:41 UTC 2021
PRIMARY
CAS
63348-34-5
Created by admin on Fri Jun 25 23:46:41 UTC 2021 , Edited by admin on Fri Jun 25 23:46:41 UTC 2021
PRIMARY
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