.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(((METHYLAMINO)SULFONYL)METHYL)-1H-INDOLE-3-ACETATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22N2O10S
Molecular Weight	458.44
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(((METHYLAMINO)SULFONYL)METHYL)-1H-INDOLE-3-ACETATE)

Structure Search

SMILES

CNS(=O)(=O)CC1=CC=C2NC=C(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C2=C1

InChI

InChIKey=LITWLFMIHOIPGH-RNGZQALNSA-N

InChI=1S/C18H22N2O10S/c1-19-31(27,28)7-8-2-3-11-10(4-8)9(6-20-11)5-12(21)29-18-15(24)13(22)14(23)16(30-18)17(25)26/h2-4,6,13-16,18-20,22-24H,5,7H2,1H3,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22N2O10S
Molecular Weight	458.44
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 16:42:08 GMT 2023` Edited by `admin` on `Sat Dec 16 16:42:08 GMT 2023`
Record UNII	GK2323MN4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(((METHYLAMINO)SULFONYL)METHYL)-1H-INDOLE-3-ACETATE)

Systematic Name

English

GR-49336 GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

10095668

Created by admin on Sat Dec 16 16:42:08 GMT 2023 , Edited by admin on Sat Dec 16 16:42:08 GMT 2023

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CAS

151751-50-7

Created by admin on Sat Dec 16 16:42:08 GMT 2023 , Edited by admin on Sat Dec 16 16:42:08 GMT 2023

PRIMARY

FDA UNII

GK2323MN4N

Created by admin on Sat Dec 16 16:42:08 GMT 2023 , Edited by admin on Sat Dec 16 16:42:08 GMT 2023

PRIMARY

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URINE