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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)N([C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)C(=Nc3ccc(c(c3)Cl)Cl)O

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 491.707
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 08:28:55 UTC 2021
Edited
by admin
on Sat Jun 26 08:28:55 UTC 2021
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 Jun 26 08:28:55 UTC 2021 , Edited by admin on Sat Jun 26 08:28:55 UTC 2021
PRIMARY
CAS
67200-81-1
Created by admin on Sat Jun 26 08:28:55 UTC 2021 , Edited by admin on Sat Jun 26 08:28:55 UTC 2021
PRIMARY
FDA UNII
WSV1UQ8S26
Created by admin on Sat Jun 26 08:28:55 UTC 2021 , Edited by admin on Sat Jun 26 08:28:55 UTC 2021
PRIMARY
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