Ivabradine Impurity 3

CAT: 1299-RM-I220222-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I220222-01Size:10 mg

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CAS Number

1132667-04-9

Synonyms

(R) -1- (3,4-dimethoxybicyclo[4.2.0]octa-1 (6),2,4-trien-7-yl) -N-methylmethanamine

Molecular Formula

C12H17NO2

Molecular Weight

207.27

Target Alternative Name

Ivabradine

Product Name Synonym

(R) -1- (3,4-dimethoxybicyclo[4.2.0]octa-1 (6),2,4-trien-7-yl) -N-methylmethanamine

Chemical Information

(R)-1-(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine

CAS Number	1132667-04-9
PubChem CID	22851022
IUPAC Name	1-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine
Molecular Formula	C12H17NO2
Molecular Weight	207.27
XLogP	0.5
Topological Polar Surface Area	30.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	210

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9/h5-6,9,13H,4,7H2,1-3H3/t9-/m0/s1

InChIKey

SAVVFXUMMFHSJC-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 1132667-04-9

CID: 22851022

Formula: C12H17NO2

MW: 207.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.27
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	207.125928785
Monoisotopic Mass	207.125928785
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	210
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