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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl3N2O7
Molecular Weight 491.707
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-GLUCURONIDE-TRICLOCARBAN

SMILES

c1cc(ccc1Cl)NC(=O)N(c2ccc(c(c2)Cl)Cl)[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O

InChI

InChIKey=IWDQKYQKASVMAH-ZOFXXKQRSA-N
InChI=1S/C19H17Cl3N2O7/c20-8-1-3-9(4-2-8)23-19(30)24(10-5-6-11(21)12(22)7-10)17-15(27)13(25)14(26)16(31-17)18(28)29/h1-7,13-17,25-27H,(H,23,30)(H,28,29)/t13-,14-,15+,16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H17Cl3N2O7
Molecular Weight 491.707
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 10:48:16 UTC 2021
Edited
by admin
on Sat Jun 26 10:48:16 UTC 2021
Record UNII
5R3TX3J6AR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-GLUCURONIDE-TRICLOCARBAN
Common Name English
1-((((4-CHLOROPHENYL)AMINO)CARBONYL)(3,4-DICHLOROPHENYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((((4-CHLOROPHENYL)AMINO)CARBONYL)(3,4-DICHLOROPHENYL)AMINO)-1-DEOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
6455434
Created by admin on Sat Jun 26 10:48:16 UTC 2021 , Edited by admin on Sat Jun 26 10:48:16 UTC 2021
PRIMARY
CAS
67200-80-0
Created by admin on Sat Jun 26 10:48:16 UTC 2021 , Edited by admin on Sat Jun 26 10:48:16 UTC 2021
PRIMARY
FDA UNII
5R3TX3J6AR
Created by admin on Sat Jun 26 10:48:16 UTC 2021 , Edited by admin on Sat Jun 26 10:48:16 UTC 2021
PRIMARY
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