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 of N'-GLUCURONIDE-TRICLOCARBAN

Structure Search

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

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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

Related Record Type Details


					BGG1Y1ED0Y

TRICLOCARBAN

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