Apatinib Mesylate Impurity 1

CAT: 1299-RM-A271001-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A271001-01Size:10 mg

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CAS Number

2244190-24-5

Synonyms

2-amino-N- (4- (1-cyanocyclopentyl) phenyl) nicotinamide

Molecular Formula

C18H18N4O

Molecular Weight

306.37

Target Alternative Name

Apatinib

Product Name Synonym

2-amino-N- (4- (1-cyanocyclopentyl) phenyl) nicotinamide

Chemical Information

2-Amino-N-(4-(1-cyanocyclopentyl)phenyl)nicotinamide

CAS Number	2244190-24-5
PubChem CID	141528566
IUPAC Name	2-amino-N-[4-(1-cyanocyclopentyl)phenyl]pyridine-3-carboxamide
Molecular Formula	C18H18N4O
Molecular Weight	306.4
XLogP	3
Topological Polar Surface Area	91.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	469

SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)N

InChI

InChI=1S/C18H18N4O/c19-12-18(9-1-2-10-18)13-5-7-14(8-6-13)22-17(23)15-4-3-11-21-16(15)20/h3-8,11H,1-2,9-10H2,(H2,20,21)(H,22,23)

InChIKey

SGGCCOCGNXGPSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2244190-24-5

CID: 141528566

Formula: C18H18N4O

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	306.14806121
Monoisotopic Mass	306.14806121
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	469
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-A271002-01	Apatinib Mesylate Impurity 2
RM-A271005-01	Apatinib Mesylate Impurity 5
RM-A271004-01	Apatinib Mesylate Impurity 4
RM-A271006-01	Apatinib Mesylate Impurity 6
RM-A271007-01	Apatinib Mesylate Impurity 7
RM-A271003-01	Apatinib Mesylate Impurity 3
RM-P081317-01	Phentolamine Mesylate Impurity 17
RM-E180210-01	Eribulin Mesylate Impurity 10
RM-E180207-01	Eribulin Mesylate Impurity 7
RM-E180209-01	Eribulin Mesylate Impurity 9

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