IBUPROFENAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C=O

InChI

InChIKey=DMZVZANOMJGHKO-UHFFFAOYSA-N

InChI=1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O
Molecular Weight	190.2814
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 `Wed Apr 02 12:51:14 GMT 2025` Edited by `admin` on `Wed Apr 02 12:51:14 GMT 2025`
Record UNII	ALC8A4Q82T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IBUPROFENAL

Common Name

English

2-(4-ISOBUTYLPHENYL)PROPANAL

Preferred Name

English

BENZENEACETALDEHYDE, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-

Systematic Name

English

2-(4-ISOBUTYLPHENYL)PROPIONALDEHYDE

Systematic Name

English

.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETALDEHYDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

595156

Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025

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CAS

51407-46-6

Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025

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FDA UNII

ALC8A4Q82T

Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025

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EPA CompTox

DTXSID00965721

Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025

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