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Ketoprofen D-Lysinate

CAT: 1596-AR-K01666-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-K01666-01Size:10 Units
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CAS Number
1544601-57-1
Synonyms
2- (3-benzoylphenyl) propanoic acid, D-lysine (1:1)
Molecular Formula
C16H14O3. C6H14N2O2
Molecular Weight
254.29 146.19
API Name
Ketoprofen

Chemical Information

Ketoprofen lysine

lysine salt of ketoprofen; structure in first source

CAS Number1544601-57-1
PubChem CID9843941
IUPAC Name2-(3-benzoylphenyl)propanoic acid;(2S)-2,6-diaminohexanoic acid
Molecular FormulaC22H28N2O5
Molecular Weight400.5
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity437
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
InChI
InChI=1S/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIKey
VHIORVCHBUEWEP-ZSCHJXSPSA-N
Chemical Structure
2D Structure
2D structure of Ketoprofen lysine
CAS: 1544601-57-1
CID: 9843941
Formula: C22H28N2O5
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass400.19982200
Monoisotopic Mass400.19982200
Topological Polar Surface Area144 Ų
Heavy Atom Count29
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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281128Ketoprofen Lysinate
HY-B0227AKetoprofen (lysinate)
HY-B0227ARKetoprofen (lysinate) (Standard)
MK07236-01Ketoprofen acyl-β-D-glucuronide
RM-K201604-01Ketoprofen EP Impurity D
293837-01Ketoprofen acyl-b-D-glucuronide
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sc-489114(S) -Ketoprofen Acyl-β-D-glucuronide
MK16769-01(R) -Ketoprofen b-D-glucuronide
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