N-GLUCURONIDE-TRICLOCARBAN

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 Search

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

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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

Related Record Type Details


					BGG1Y1ED0Y

TRICLOCARBAN

PARENT -> METABOLITE

Qualification:

URINE