2-HYDROXYMESOCARB GLUCURONIDE

Details

Stereochemistry	MIXED
Molecular Formula	C24H26N4O9
Molecular Weight	514.4846
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYMESOCARB GLUCURONIDE

Structure Search

SMILES

CC(C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C2=CC=CC=C2)[N+]3=NOC(NC(=O)NC4=CC=CC=C4)=C3

InChI

InChIKey=VPXPDGNMWKAURL-SWFRFMIYSA-N

InChI=1S/C24H26N4O9/c1-13(28-12-16(37-27-28)26-24(34)25-15-10-6-3-7-11-15)20(14-8-4-2-5-9-14)35-23-19(31)17(29)18(30)21(36-23)22(32)33/h2-13,17-21,23,29-31H,1H3,(H2-,25,26,27,32,33,34)/t13?,17-,18-,19+,20?,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H26N4O9
Molecular Weight	514.4846
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	5 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:33:11 GMT 2023` Edited by `admin` on `Sat Dec 16 10:33:11 GMT 2023`
Record UNII	CAV72KLS4R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYMESOCARB GLUCURONIDE

Common Name

English

1,2,3-OXADIAZOLIUM, 3-(2-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-1-METHYL-2-PHENYLETHYL)-5-(((PHENYLAMINO)CARBONYL)AMINO)-, INNER SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

CAV72KLS4R

Created by admin on Sat Dec 16 10:33:11 GMT 2023 , Edited by admin on Sat Dec 16 10:33:11 GMT 2023

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PUBCHEM

135390847

Created by admin on Sat Dec 16 10:33:11 GMT 2023 , Edited by admin on Sat Dec 16 10:33:11 GMT 2023

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