Flurbiprofen-acyl-β-D-glucuronide, S-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21FO8
Molecular Weight	420.385
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Flurbiprofen-acyl-β-D-glucuronide, S-

Structure Search

SMILES

C[C@H](C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2=CC(F)=C(C=C2)C3=CC=CC=C3

InChI

InChIKey=PLPQBSOCUVSKTP-IYXYQCAZSA-N

InChI=1S/C21H21FO8/c1-10(12-7-8-13(14(22)9-12)11-5-3-2-4-6-11)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h2-10,15-18,21,23-25H,1H3,(H,26,27)/t10-,15-,16-,17+,18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21FO8
Molecular Weight	420.385
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:46:10 UTC 2023` Edited by `admin` on `Sat Dec 16 19:46:10 UTC 2023`
Record UNII	PM4BSL647K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Flurbiprofen-acyl-β-D-glucuronide, S-

Common Name

English

β-D-Glucopyranuronic acid, 1-[(αS)-2-fluoro-α-methyl[1,1′-biphenyl]-4-acetate]

Systematic Name

English

S-Flurbiprofen-acyl-β-D-glucuronide

Common Name

English

S-Flurbiprofen-acyl-b-D-glucuronide

Common Name

English

S-Flurbiprofen glucuronide

Common Name

English

Code System Code Type Description

CAS

162992-66-7

Created by admin on Sat Dec 16 19:46:10 UTC 2023 , Edited by admin on Sat Dec 16 19:46:10 UTC 2023

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FDA UNII

PM4BSL647K

Created by admin on Sat Dec 16 19:46:10 UTC 2023 , Edited by admin on Sat Dec 16 19:46:10 UTC 2023

PRIMARY

PUBCHEM

93981540

Created by admin on Sat Dec 16 19:46:10 UTC 2023 , Edited by admin on Sat Dec 16 19:46:10 UTC 2023

PRIMARY