Synonyms:
Status: Approved
Entry Type: Unknown
Molecule Category: Salt
Parent Compound: IBUPROFEN

Structure

InChI Key GCCOJNYCFNSJII-VWMHFEHESA-N
Smile CC(C)Cc1ccc(C(C)C(=O)O)cc1.N=C(N)NCCC[C@H](N)C(=O)O
InChI
InChI=1S/C13H18O2.C6H14N4O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N4O4
Molecular Weight 380.49
AlogP 3.07
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 1 D010146 ClinicalTrials

Related Entries

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