Montelukast Impurity 35

CAT: 1299-RM-M201261-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201261-01Size:10 mg

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CAS Number

152922-86-6

Synonyms

(1- (cyanomethyl) cyclopropyl) methyl methanesulfonate

Molecular Formula

C7H11NO3S

Molecular Weight

189.23

Target Alternative Name

Montelukast

Product Name Synonym

(1- (cyanomethyl) cyclopropyl) methyl methanesulfonate

Chemical Information

(1-(Cyanomethyl)cyclopropyl)methyl Methanesulfonate

CAS Number	152922-86-6
PubChem CID	18353775
IUPAC Name	[1-(cyanomethyl)cyclopropyl]methyl methanesulfonate
Molecular Formula	C7H11NO3S
Molecular Weight	189.23
XLogP	-0.1
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	301

SMILES

CS(=O)(=O)OCC1(CC1)CC#N

InChI

InChI=1S/C7H11NO3S/c1-12(9,10)11-6-7(2-3-7)4-5-8/h2-4,6H2,1H3

InChIKey

LERZZSUXLRUMNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 152922-86-6

CID: 18353775

Formula: C7H11NO3S

MW: 189.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.23
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	189.04596439
Monoisotopic Mass	189.04596439
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	301
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-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-M568070-1MG	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