Ivabradine Impurity 33

CAT: 1299-RM-I220233-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-I220233-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

148870-57-9

Synonyms

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

Molecular Formula

C15H18INO3

Molecular Weight

387.21

Target Alternative Name

Ivabradine

Product Name Synonym

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

Chemical Information

1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-one

CAS Number	148870-57-9
PubChem CID	19092190
IUPAC Name	3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
Molecular Formula	C15H18INO3
Molecular Weight	387.21
XLogP	2.9
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	361

SMILES

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

InChI

InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3

InChIKey

VWPSZWNLEFZFQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148870-57-9

CID: 19092190

Formula: C15H18INO3

MW: 387.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.21
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	387.03314
Monoisotopic Mass	387.03314
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361
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