3-(HYDROXYMETHYL)ANTIPYRINE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20N2O8
Molecular Weight	380.3493
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(HYDROXYMETHYL)ANTIPYRINE GLUCURONIDE

Structure Search

SMILES

CN1N(C(=O)C=C1CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CC=C3

InChI

InChIKey=OYKBUCQWAWCHOI-KSXIZUIISA-N

InChI=1S/C17H20N2O8/c1-18-10(7-11(20)19(18)9-5-3-2-4-6-9)8-26-17-14(23)12(21)13(22)15(27-17)16(24)25/h2-7,12-15,17,21-23H,8H2,1H3,(H,24,25)/t12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H20N2O8
Molecular Weight	380.3493
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 15:32:50 UTC 2023` Edited by `admin` on `Sat Dec 16 15:32:50 UTC 2023`
Record UNII	PE6H2RD2JH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(HYDROXYMETHYL)ANTIPYRINE GLUCURONIDE

Common Name

English

(2,5-DIHYDRO-2-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-3-YL)METHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2,5-DIHYDRO-2-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-3-YL)METHYL

Systematic Name

English

Code System Code Type Description

CAS

84666-95-5

Created by admin on Sat Dec 16 15:32:50 UTC 2023 , Edited by admin on Sat Dec 16 15:32:50 UTC 2023

PRIMARY

PUBCHEM

155804757

Created by admin on Sat Dec 16 15:32:50 UTC 2023 , Edited by admin on Sat Dec 16 15:32:50 UTC 2023

PRIMARY

PUBCHEM

FDA UNII

PE6H2RD2JH

Created by admin on Sat Dec 16 15:32:50 UTC 2023 , Edited by admin on Sat Dec 16 15:32:50 UTC 2023

PRIMARY

Related Record Type Details


					T3CHA1B51H

ANTIPYRINE

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

URINE