.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H13Cl3O9
Molecular Weight	479.649
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(Cl)C=C3OC4=C(OC3=C2)C=C(Cl)C(Cl)=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=KAHALRUUUAHVDH-RNGZQALNSA-N

InChI=1S/C18H13Cl3O9/c19-5-1-9-10(2-6(5)20)28-12-4-8(7(21)3-11(12)27-9)29-18-15(24)13(22)14(23)16(30-18)17(25)26/h1-4,13-16,18,22-24H,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H13Cl3O9
Molecular Weight	479.649
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 `Wed Apr 02 08:44:23 GMT 2025` Edited by `admin` on `Wed Apr 02 08:44:23 GMT 2025`
Record UNII	8SK4GH8MXC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL

Systematic Name

English

2,3,7-TRICDD GLUCURONIDE

Preferred Name

English

3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

811435-73-1

Created by admin on Wed Apr 02 08:44:23 GMT 2025 , Edited by admin on Wed Apr 02 08:44:23 GMT 2025

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PUBCHEM

156596460

Created by admin on Wed Apr 02 08:44:23 GMT 2025 , Edited by admin on Wed Apr 02 08:44:23 GMT 2025

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FDA UNII

8SK4GH8MXC

Created by admin on Wed Apr 02 08:44:23 GMT 2025 , Edited by admin on Wed Apr 02 08:44:23 GMT 2025

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