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Details

Stereochemistry RACEMIC
Molecular Formula C13H17O2.Na.2H2O
Molecular Weight 264.2932
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFEN SODIUM

SMILES

O.O.[Na+].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O

InChI

InChIKey=VTGPMVCGAVZLQI-UHFFFAOYSA-M
InChI=1S/C13H18O2.Na.2H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);;2*1H2/q;+1;;/p-1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 C13H18O2
Molecular Weight 206.2808
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 Fri Dec 15 18:38:43 UTC 2023
Edited
by admin
on Fri Dec 15 18:38:43 UTC 2023
Record UNII
RM1CE97Z4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN SODIUM
ORANGE BOOK   USAN   WHO-DD  
USAN  
Official Name English
Ibuprofen sodium [WHO-DD]
Common Name English
Sodium (2RS)-2-[4-(2-methylpropyl)phenyl]propanoate dihydrate
Systematic Name English
COMBOGESIC IV COMPONENT IBUPROFEN SODIUM
Brand Name English
IBUPROFEN SODIUM [USAN]
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, SODIUM SALT, HYDRATE (1:1:2)
Common Name English
IBUPROFEN SODIUM [ORANGE BOOK]
Common Name English
IBUPROFEN SODIUM DIHYDRATE
Common Name English
SODIUM IBUPROFEN DIHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
23690315
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
CAS
527688-20-6
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
EVMPD
SUB89475
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
USAN
XX-145
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL521
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
NCI_THESAURUS
C170048
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
SMS_ID
100000140150
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
DAILYMED
RM1CE97Z4N
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
FDA UNII
RM1CE97Z4N
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
EVMPD
SUB21665
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
DRUG BANK
DBSALT001483
Created by admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY