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Dovitinib Dilactic acid 25mg

CAT: 0628-A10198-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A10198-25Size:25 mg
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CAS Number
852433-84-2

Chemical Information

Dovitinib dilactic acid
CAS Number852433-84-2
PubChem CID135985126
IUPAC Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;bis(2-hydroxypropanoic acid)
Molecular FormulaC27H33FN6O7
Molecular Weight572.6
Topological Polar Surface Area205
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity737
SMILES
CC(C(=O)O)O.CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
InChI
InChI=1S/C21H21FN6O.2C3H6O3/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;2*1-2(4)3(5)6/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2*2,4H,1H3,(H,5,6)
InChIKey
XXLPVQZYQCGXOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dovitinib dilactic acid
CAS: 852433-84-2
CID: 135985126
Formula: C27H33FN6O7
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass572.23947558
Monoisotopic Mass572.23947558
Topological Polar Surface Area205 Ų
Heavy Atom Count41
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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