Ivabradine impurity 1

CAT: 0013-GTR19222068-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19222068-01Size:5 mg

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Description

Ivabradine Impurity 1 is an orally bioavailable research compound that acts as a hyperpolarization-activated cyclic nucleotide-gated (HCN) channel blocker. It is utilized in pharmacological studies to investigate heart rate regulation and cardiac electrophysiology in both in vitro and in vivo experimental models.

CAS Number

1428869-91-3

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Smiles

COc1cc2CC (=O) N (CCCBr) C=Cc2cc1OC

Molecular Formula

C15H18BrNO3

Molecular Weight

340.21

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ivabradine impurity 1

CAS Number	1428869-91-3
PubChem CID	154573761
IUPAC Name	3-(3-bromopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
Molecular Formula	C15H18BrNO3
Molecular Weight	340.21
XLogP	2.5
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)CCCBr)OC

InChI

InChI=1S/C15H18BrNO3/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

VFTMJYBDEYQZHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1428869-91-3

CID: 154573761

Formula: C15H18BrNO3

MW: 340.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	340.21
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	339.04701
Monoisotopic Mass	339.04701
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

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Ivabradine impurity 1

Chemical Information

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