Montelukast Impurity 34

CAT: 1299-RM-M201260-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201260-01Size:10 mg

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CAS Number

120578-03-2

Synonyms

(E) -3- (2- (7-chloroquinolin-2-yl) vinyl) benzaldehyde

Molecular Formula

C18H12ClNO

Molecular Weight

293.75

Target Alternative Name

Montelukast

Product Name Synonym

(E) -3- (2- (7-chloroquinolin-2-yl) vinyl) benzaldehyde

Chemical Information

3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]benzaldehyde

CAS Number	120578-03-2
PubChem CID	10017305
IUPAC Name	3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
Molecular Formula	C18H12ClNO
Molecular Weight	293.7
XLogP	4.6
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	383

SMILES

C1=CC(=CC(=C1)C=O)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+

InChIKey

JTRDWIOIDMLMNN-XBXARRHUSA-N

Chemical Structure

2D Structure

CAS: 120578-03-2

CID: 10017305

Formula: C18H12ClNO

MW: 293.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.7
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.0607417
Monoisotopic Mass	293.0607417
Topological Polar Surface Area	30 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	383
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M201233-01	Montelukast EP Impurity A; ent-Montelukast
RM-M142001-01	Montelukast Sodium Impurity A; USP Montelukast Ketone Impurity
RM-M201267-01	Montelukast Impurity 41
RM-M201275-01	Montelukast Impurity 49
RM-M201268-01	Montelukast Impurity 42
RM-M201239-01	Montelukast Impurity 13
RM-M201259-01	Montelukast Impurity 33
RM-M201244-01	Montelukast Impurity 18
RM-M201269-01	Montelukast Impurity 43
RM-M201230-01	Montelukast Ketocarbinol Impurity

Catalog	Name
AR-M05078-01	Montelukast Impurity 36 and Montelukast Impurity 37 (Mixture of Diastereomers)
IM111856-01	Montelukast impurity I
TRC-M568070-5MG	Montelukast Ketocarbinol Impurity
AR-M05065-01	Montelukast Impurity 12
AR-M05067-01	Montelukast Impurity 36
AR-M05070-01	Montelukast Impurity 42
AR-M05072-01	Montelukast Impurity 49
AR-M02256-01	Montelukast Impurity 10
AR-M02276-01	Montelukast Impurity 30
AR-M02277-01	Montelukast Impurity 31