IBUPROFEN ISOBUTANOLAMMONIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H18O2.C4H11NO
Molecular Weight	295.4171
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IBUPROFEN ISOBUTANOLAMMONIUM

Structure Search

SMILES

CC(C)(N)CO.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=QEYXCMAFPIGBID-UHFFFAOYSA-N

InChI=1S/C13H18O2.C4H11NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-4(2,5)3-6/h4-7,9-10H,8H2,1-3H3,(H,14,15);6H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
Charge	0
Count

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

Molecular Formula	C4H11NO
Molecular Weight	89.1362
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:40:17 GMT 2025` Edited by `admin` on `Mon Mar 31 23:40:17 GMT 2025`
Record UNII	02X2TO1S2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IBUPROFEN ISOBUTANOLAMMONIUM

Common Name

English

1-PROPANOL, 2-AMINO-2-METHYL-, .ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE (SALT)

Preferred Name

English

Ibuprofen isobutanolammonium [WHO-DD]

Common Name

English

BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL (1:1)

Systematic Name

English

Code System Code Type Description

CAS

67190-45-8

Created by admin on Mon Mar 31 23:40:17 GMT 2025 , Edited by admin on Mon Mar 31 23:40:17 GMT 2025

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FDA UNII

02X2TO1S2D

Created by admin on Mon Mar 31 23:40:17 GMT 2025 , Edited by admin on Mon Mar 31 23:40:17 GMT 2025

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PUBCHEM

12791155

Created by admin on Mon Mar 31 23:40:17 GMT 2025 , Edited by admin on Mon Mar 31 23:40:17 GMT 2025

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SMS_ID

100000175414

Created by admin on Mon Mar 31 23:40:17 GMT 2025 , Edited by admin on Mon Mar 31 23:40:17 GMT 2025

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