Montelukast Impurity 43

CAT: 1299-RM-M201269-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201269-01Size:10 mg

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CAS Number

139425-24-4

Synonyms

(E) -1- (3- (2- (7-chloroquinolin-2-yl) vinyl) phenyl) ethan-1-ol

Molecular Formula

C19H16ClNO

Molecular Weight

309.79

Target Alternative Name

Montelukast

Product Name Synonym

(E) -1- (3- (2- (7-chloroquinolin-2-yl) vinyl) phenyl) ethan-1-ol

Chemical Information

1-{3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}ethan-1-ol

CAS Number	139425-24-4
PubChem CID	19102592
IUPAC Name	1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]ethanol
Molecular Formula	C19H16ClNO
Molecular Weight	309.8
XLogP	4.6
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	386

SMILES

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

InChI

InChI=1S/C19H16ClNO/c1-13(22)16-4-2-3-14(11-16)5-9-18-10-7-15-6-8-17(20)12-19(15)21-18/h2-13,22H,1H3/b9-5+

InChIKey

QDSJAAAHFVOTSB-WEVVVXLNSA-N

Chemical Structure

2D Structure

CAS: 139425-24-4

CID: 19102592

Formula: C19H16ClNO

MW: 309.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.8
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	309.0920418
Monoisotopic Mass	309.0920418
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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-M201239-01	Montelukast Impurity 13
RM-M201259-01	Montelukast Impurity 33
RM-M201275-01	Montelukast Impurity 49
RM-M201268-01	Montelukast Impurity 42
RM-M201244-01	Montelukast Impurity 18
RM-M201230-01	Montelukast Ketocarbinol Impurity
RM-M201237-01	Montelukast Impurity 11

Catalog	Name
AR-M05078-01	Montelukast Impurity 36 and Montelukast Impurity 37 (Mixture of Diastereomers)
IM111856-01	Montelukast impurity I
TRC-M568070-1MG	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