Selumetinib Impurity 17

CAT: 1299-RM-S052117-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S052117-01Size:10 mg

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CAS Number

606144-04-1

Synonyms

5- ((4-bromo-2-chlorophenyl) amino) -4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylic acid

Molecular Formula

C15H10BrClFN3O2

Molecular Weight

398.62

Target Alternative Name

Selumetinib

Chemical Information

AZ-133266637

CAS Number	606144-04-1
PubChem CID	16092137
IUPAC Name	6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylic acid
Molecular Formula	C15H10BrClFN3O2
Molecular Weight	398.61
XLogP	4.5
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	460

SMILES

CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)O

InChI

InChI=1S/C15H10BrClFN3O2/c1-21-6-19-14-11(21)5-8(15(22)23)13(12(14)18)20-10-3-2-7(16)4-9(10)17/h2-6,20H,1H3,(H,22,23)

InChIKey

XAAPQRFIXGDKPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 606144-04-1

CID: 16092137

Formula: C15H10BrClFN3O2

MW: 398.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.61
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	396.96290
Monoisotopic Mass	396.96290
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	460
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
AR-S11202-01	Selumetinib Impurity 5
CS-O-60477	Selumetinib Nitroso Impurity 2
AR-S11203-01	Selumetinib Sulfonic Acid Impurity
GW9004-1mg	Selumetinib
TMB33208-01	Selumetinib sulfate
HY-50706R-01	Selumetinib (Standard)
S1008-50mg	Selumetinib (AZD6244)