Diazepam Impurity 15

CAT: 1299-RM-D261615-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D261615-02Size:25 mg

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CAS Number

25759-97-1

Synonyms

1- (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl) pyridin-1-ium chloride

Molecular Formula

C20H14Cl2N2O

Molecular Weight

369.24

Target Alternative Name

Diazepam

Product Name Synonym

1- (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl) pyridin-1-ium chloride

Chemical Information

1-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)pyridinium chloride

CAS Number	25759-97-1
PubChem CID	12758281
IUPAC Name	6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one chloride
Molecular Formula	C20H14Cl2N2O
Molecular Weight	369.2
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	506

SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H13ClN2O.ClH/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23;/h1-13H;1H

InChIKey

GSDCXTFHUFOTRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25759-97-1

CID: 12758281

Formula: C20H14Cl2N2O

MW: 369.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	369.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	368.0483185
Monoisotopic Mass	368.0483185
Topological Polar Surface Area	33 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	506
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	2
Compound Is Canonicalized	Yes