Ivabradine impurity 1

CAT: 0931-T73975-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T73975-01Size:5 mg

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CAS Number

1428869-91-3

Target

Others, Drug Metabolite

Related Pathways

Others, Metabolism

Bioactivity

Ivabradine Impurity 1, identified as an impurity of Ivabradine, is an orally bioavailable compound that functions as a blocker of the hyperpolarization-activated, cyclic nucleotide-gated (HCN) channel [1].

Smiles

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

Molecular Formula

C15H18BrNO3

Molecular Weight

340.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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

Related Products

Catalog	Name
T73976-01	Ivabradine impurity 2
T63014-01	Ivabradine
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T37160-01	8-Demethyl Ivabradine
T11694-01	Ivabradine-d6 hydrochloride
T11692-01	Ivabradine-d3 hydrochloride
T11695-01	N-Demethyl ivabradine hydrochloride
TMIH-0380-01	N-Desmethyl Ivabradine-d6 HCl
T19447-01	N-Demethyl Ivabradine D6 Hydrochloride
T37628	Ibuprofen impurity 1

Alternative Products

Catalog	Name
RM-I220205-01	Ivabradine Impurity E (8-Demethyl Ivabradine)
TRC-I273040-100MG	Ivabradine Impurity 30
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

Ivabradine impurity 1

Chemical Information

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