Ivabradine Impurity 7

CAT: 1299-RG-D091344-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D091344-01Size:10 mg

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CAS Number

869856-07-5

Synonyms

(S) - (3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methanamine

Molecular Formula

C11H15NO2

Molecular Weight

193.24

Target Alternative Name

Ivabradine

Product Name Synonym

(S) - (3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) methanamine

Chemical Information

4,5-Dimethoxy-1-(aminomethyl)benzocyclobutane, (S)-

CAS Number	869856-07-5
PubChem CID	11506616
IUPAC Name	[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanamine
Molecular Formula	C11H15NO2
Molecular Weight	193.24
XLogP	0
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

COC1=C(C=C2[C@H](CC2=C1)CN)OC

InChI

InChI=1S/C11H15NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3,6,12H2,1-2H3/t8-/m1/s1

InChIKey

JDZSBHBIJDIACW-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 869856-07-5

CID: 11506616

Formula: C11H15NO2

MW: 193.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.24
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.110278721
Monoisotopic Mass	193.110278721
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
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

Catalog	Name
RM-I220204-01	Ivabradine Impurity D (Usp Rc 7-Demethyl Ivabradine)
RM-I220256-01	Ivabradine Impurity 56
RM-I220255-01	Ivabradine Impurity 55
RM-I220293-01	Ivabradine Impurity 93
RM-I220279-01	Ivabradine Impurity 79
RM-I220295-01	Ivabradine Impurity 95
RM-I220294-01	Ivabradine Impurity 94
RM-I220287-01	Ivabradine Impurity 87
RM-I220289-01	Ivabradine Impurity 89
RM-I220244-01	Ivabradine Impurity 44