Ivabradine Impurity 41

CAT: 1299-RM-I220241-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-I220241-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1279201-07-8

Synonyms

(S) -3-bromo-N- ((3,4-dimethoxybicyclo[4.2.0]octa-1 (6),2,4-trien-7-yl) methyl) -N-methylpropan-1-amine

Molecular Formula

C15H22BrNO2

Molecular Weight

328.24

Target Alternative Name

Ivabradine

Product Name Synonym

(S) -3-bromo-N- ((3,4-dimethoxybicyclo[4.2.0]octa-1 (6),2,4-trien-7-yl) methyl) -N-methylpropan-1-amine

Chemical Information

(S)-3-bromo-N-((3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)methyl)-N-methylpropan-1-amine

CAS Number	1279201-07-8
PubChem CID	177829293
IUPAC Name	3-bromo-N-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-N-methylpropan-1-amine
Molecular Formula	C15H22BrNO2
Molecular Weight	328.24
XLogP	2.1
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	277

SMILES

CN(CCCBr)C[C@H]1CC2=CC(=C(C=C12)OC)OC

InChI

InChI=1S/C15H22BrNO2/c1-17(6-4-5-16)10-12-7-11-8-14(18-2)15(19-3)9-13(11)12/h8-9,12H,4-7,10H2,1-3H3/t12-/m1/s1

InChIKey

WWVSNUIUDQAWHB-GFCCVEGCSA-N

Chemical Structure

2D Structure

CAS: 1279201-07-8

CID: 177829293

Formula: C15H22BrNO2

MW: 328.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.24
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	327.08339
Monoisotopic Mass	327.08339
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes