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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 2'-O-GLUCURONIDE-TRICLOCARBAN

SMILES

c1cc(c(cc1Cl)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)NC(=Nc3ccc(c(c3)Cl)Cl)O

InChI

InChIKey=XCQBQJHEPXUNPG-RNGZQALNSA-N
InChI=1S/C19H17Cl3N2O8/c20-7-1-4-11(24-19(30)23-8-2-3-9(21)10(22)6-8)12(5-7)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 Sat Jun 26 00:19:39 UTC 2021
Edited
by admin
on Sat Jun 26 00:19:39 UTC 2021
Record UNII
RNG6PMO9T1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-O-GLUCURONIDE-TRICLOCARBAN
Common Name English
5-CHLORO-2-((((3,4-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-CHLORO-2-((((3,4-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
RNG6PMO9T1
Created by admin on Sat Jun 26 00:19:39 UTC 2021 , Edited by admin on Sat Jun 26 00:19:39 UTC 2021
PRIMARY
CAS
63348-33-4
Created by admin on Sat Jun 26 00:19:39 UTC 2021 , Edited by admin on Sat Jun 26 00:19:39 UTC 2021
PRIMARY
PUBCHEM
102458793
Created by admin on Sat Jun 26 00:19:39 UTC 2021 , Edited by admin on Sat Jun 26 00:19:39 UTC 2021
PRIMARY
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