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356068-97-8

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Basic Information
CAS No.: 356068-97-8
Name: N-Desethyl sunitinib
Article Data: 6
Molecular Structure:
Molecular Structure of 356068-97-8 (N-Desethyl sunitinib)
Formula: C20H23FN4O2
Molecular Weight: 370.420623
Synonyms: N-[2-(Ethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-Desethyl Sunitinib;SU 11662;SU11662;SU-11662;HY-10873;5-[((3Z)-5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-ethylaminoethyl)amide
Density: 1.265±0.06 g/cm3(Predicted)
Melting Point: 268-270?C
Boiling Point: 574.4±50.0 °C(Predicted)
PSA: 86.02000
LogP: 3.52240
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Specification

The N-Desethyl sunitinib, with the CAS registry number 356068-97-8, is also known as 1H-Pyrrole-3-carboxamide, N-[2-(ethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Tyrosine Kinase Inhibitors. This chemical's molecular formula is C20H23FN4O2 and molecular weight is 370.420623. Its IUPAC name is called N-[2-(ethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Physical properties of N-Desethyl sunitinib: (1)XLogP3-AA 1.8; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 53; (6)Exact Mass: 370.180504; (7)MonoIsotopic Mass: 370.180504; (8)Topological Polar Surface Area: 86; (9)Heavy Atom Count: 27; (10)Formal Charge: 0; (11)Complexity: 597; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 1; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNCCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
(2)Isomeric SMILES: CCNCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
(3)InChI: InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-
(4)InChIKey: LIZNIAKSBJKPQC-GDNBJRDFSA-N