Tolmetin glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23NO9
Molecular Weight	433.4086
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1C(=O)C3=CC=C(C)C=C3

InChI

InChIKey=MEFIGCPEYJZFFC-ZFORQUDYSA-N

InChI=1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23NO9
Molecular Weight	433.4086
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 15:30:43 UTC 2023` Edited by `admin` on `Sat Dec 16 15:30:43 UTC 2023`
Record UNII	GC783NL4J5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tolmetin glucuronide

Common Name

English

Tolmetin β-D-Glucuronide

Common Name

English

β-D-Glucopyranuronic acid, 1-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate]

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl}oxy)oxane-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

71595-19-2

Created by admin on Sat Dec 16 15:30:43 UTC 2023 , Edited by admin on Sat Dec 16 15:30:43 UTC 2023

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PUBCHEM

155656

Created by admin on Sat Dec 16 15:30:43 UTC 2023 , Edited by admin on Sat Dec 16 15:30:43 UTC 2023

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FDA UNII

GC783NL4J5

Created by admin on Sat Dec 16 15:30:43 UTC 2023 , Edited by admin on Sat Dec 16 15:30:43 UTC 2023

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EPA CompTox

DTXSID50221824

Created by admin on Sat Dec 16 15:30:43 UTC 2023 , Edited by admin on Sat Dec 16 15:30:43 UTC 2023

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