U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl3N2O7
Molecular Weight 491.706
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N'-GLUCURONIDE-TRICLOCARBAN

SMILES

O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)N(C(=O)NC2=CC=C(Cl)C(Cl)=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=LYTMAQKRWKXIFV-ZOFXXKQRSA-N
InChI=1S/C19H17Cl3N2O7/c20-8-1-4-10(5-2-8)24(19(30)23-9-3-6-11(21)12(22)7-9)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 491.706
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 17:19:01 UTC 2023
Edited
by admin
on Sat Dec 16 17:19:01 UTC 2023
Record UNII
WSV1UQ8S26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N'-GLUCURONIDE-TRICLOCARBAN
Common Name English
1-((4-CHLOROPHENYL)(((3,4-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4-CHLOROPHENYL)(((3,4-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)-1-DEOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
6455435
Created by admin on Sat Dec 16 17:19:02 UTC 2023 , Edited by admin on Sat Dec 16 17:19:02 UTC 2023
PRIMARY
CAS
67200-81-1
Created by admin on Sat Dec 16 17:19:02 UTC 2023 , Edited by admin on Sat Dec 16 17:19:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID30217487
Created by admin on Sat Dec 16 17:19:02 UTC 2023 , Edited by admin on Sat Dec 16 17:19:02 UTC 2023
PRIMARY
FDA UNII
WSV1UQ8S26
Created by admin on Sat Dec 16 17:19:02 UTC 2023 , Edited by admin on Sat Dec 16 17:19:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE