Ivabradine Impurity 8

CAT: 1596-AR-I02036-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I02036-01Size:10 Units

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

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CAS Number

85175-65-1

Synonyms

3- (3-chloropropyl) -7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2 (3H) -one

Molecular Formula

C15H20ClNO3

Molecular Weight

297.78

API Name

Ivabradine

Chemical Information

3-(3-Chloropropyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

CAS Number	85175-65-1
PubChem CID	13092510
IUPAC Name	3-(3-chloropropyl)-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Molecular Formula	C15H20ClNO3
Molecular Weight	297.78
XLogP	2.2
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	326

SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CCCCl)OC

InChI

InChI=1S/C15H20ClNO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h8-9H,3-7,10H2,1-2H3

InChIKey

UKLLLQWDPVQNPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85175-65-1

CID: 13092510

Formula: C15H20ClNO3

MW: 297.78

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.78
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	297.1131712
Monoisotopic Mass	297.1131712
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	326
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