5-HYDROXYROFECOXIB

Details

Stereochemistry	UNKNOWN
Molecular Formula	C17H14O5S
Molecular Weight	330.355
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2O)C3=CC=CC=C3

InChI

InChIKey=NCBVUSNBLYMFPP-UHFFFAOYSA-N

InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3

HIDE SMILES / InChI

Molecular Formula	C17H14O5S
Molecular Weight	330.355
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:17:22 GMT 2023` Edited by `admin` on `Sat Dec 16 09:17:22 GMT 2023`
Record UNII	8DJV9U9K61
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-HYDROXYROFECOXIB

Common Name

English

ROFECOXIB METABOLITE 5-HYDROXYROFECOXIB

Common Name

English

J1.426.755G

Code

English

2(5H)-FURANONE, 5-HYDROXY-4-(4-(METHYLSULFONYL)PHENYL)-3-PHENYL-

Systematic Name

English

5-HYDROXY-3-PHENYL-4-(4-(METHYLSULFONYL)PHENYL)FURAN-2(5H)-ONE

Systematic Name

English

Code System Code Type Description

CAS

185147-17-5

Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023

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EPA CompTox

DTXSID90433560

Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023

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FDA UNII

8DJV9U9K61

Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023

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PUBCHEM

9973893

Created by admin on Sat Dec 16 09:17:22 GMT 2023 , Edited by admin on Sat Dec 16 09:17:22 GMT 2023

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