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Apatinib

CAT: 1596-AR-A06732-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06732-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
811803-05-1
Synonyms
N- (4- (1-cyanocyclopentyl) phenyl) -2- ((pyridin-4-ylmethyl) amino) nicotinamide
Molecular Formula
C24H23N5O
Molecular Weight
397.48
API Name
Apatinib

Chemical Information

N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide

Rivoceranib is under investigation in clinical trial NCT02726854 (Apatinib as Second-line Treatment of Advanced Pancreatic Cancer).

CAS Number811803-05-1
PubChem CID11315474
IUPAC NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
Molecular FormulaC24H23N5O
Molecular Weight397.5
XLogP4.1
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4
InChI
InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)
InChIKey
WPEWQEMJFLWMLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CAS: 811803-05-1
CID: 11315474
Formula: C24H23N5O
MW: 397.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass397.19026037
Monoisotopic Mass397.19026037
Topological Polar Surface Area90.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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