Ivabradine Impurity 32

CAT: 1299-RM-I220232-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I220232-01Size:10 mg

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CAS Number

1235547-06-4

Synonyms

3- (3-hydroxypropyl) -7,8-dimethoxy-1H-benzo[d]azepin-2 (3H) -one

Molecular Formula

C15H19NO4

Molecular Weight

277.32

Target Alternative Name

Ivabradine

Product Name Synonym

3- (3-hydroxypropyl) -7,8-dimethoxy-1H-benzo[d]azepin-2 (3H) -one

Chemical Information

3-(3-Hydroxypropyl)-7,8-dimethoxy-1,3-dihydro-2h-benzo[d]azepin-2-one

CAS Number	1235547-06-4
PubChem CID	90268326
IUPAC Name	3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
Molecular Formula	C15H19NO4
Molecular Weight	277.31
XLogP	1.1
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	358

SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCO)OC

InChI

InChI=1S/C15H19NO4/c1-19-13-8-11-4-6-16(5-3-7-17)15(18)10-12(11)9-14(13)20-2/h4,6,8-9,17H,3,5,7,10H2,1-2H3

InChIKey

LXRLHFMGZBLTCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1235547-06-4

CID: 90268326

Formula: C15H19NO4

MW: 277.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.31
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	277.13140809
Monoisotopic Mass	277.13140809
Topological Polar Surface Area	59 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	358
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