INDOBUFEN SODIUM

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H16NO3.Na
Molecular Weight	317.3143
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INDOBUFEN SODIUM

Structure Search

SMILES

[Na+].CCC(C([O-])=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O

InChI

InChIKey=MEWDXXPKUBKKJO-UHFFFAOYSA-M

InChI=1S/C18H17NO3.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H16NO3
Molecular Weight	294.3245
Charge	-1
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 `Fri Dec 15 16:16:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:16:15 UTC 2023`
Record UNII	Y7A7KH8465
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INDOBUFEN SODIUM

Common Name

English

(±)-2-(P-(1-OXO-2-ISOINDOLINYL)PHENYL)BUTYRIC ACID, SODIUM SALT

Common Name

English

BENZENEACETIC ACID, 4-(1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)-.ALPHA.-ETHYL-, SODIUM SALT (1:1)

Common Name

English

Indobufen sodium [WHO-DD]

Common Name

English

BENZENEACETIC ACID, 4-(1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)-.ALPHA.-ETHYL-, SODIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C96751

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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EVMPD

SUB02674MIG

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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CAS

94135-04-3

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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ECHA (EC/EINECS)

302-872-0

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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PUBCHEM

91668149

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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EPA CompTox

DTXSID50916344

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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SMS_ID

100000086405

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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FDA UNII

Y7A7KH8465

Created by admin on Fri Dec 15 16:16:15 UTC 2023 , Edited by admin on Fri Dec 15 16:16:15 UTC 2023

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INDOBUFEN

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ACTIVE MOIETY