ChemicalBook--->CAS DataBase List--->1246638-08-3

1246638-08-3

1246638-08-3 Structure

1246638-08-3 Structure
IdentificationBack Directory
[Name]

N-DeMethyl Ivabradine Hydrochloride
[CAS]

1246638-08-3
[Synonyms]

I-305
S 18982
Ivabradine Impurity b
Ivabradine Impurity 39
N-Desmethyl Ivabradine
Ivabradine N-Desmethyl HCl
N-Desmethyl Ivabradine HCl
N-Demethyl Ivabradine-d6 HCl
N-DeMethyl Ivabradine Hydrochloride
N-DesMethyl Ivabradine Hydrochloride
IVABRADINE N-desmethyl (hydrochloride)
Ivabradine metabolite N-Demethyl Ivabradine (hydrochloride)
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one,hydrochloride
3-[3-[[[(7S)-3,4-DiMethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]Methyl]aMino]propyl]-1,3,4,5-tetrahydro-7,8-diMethoxy-3-benzazepin-2-one Hydrochloride
(S)-3-(3-(((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)amino)propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one hydrochloride
[Molecular Formula]

C26H35ClN2O5
[MDL Number]

MFCD21363646
[MOL File]

1246638-08-3.mol
[Molecular Weight]

491.019
Chemical PropertiesBack Directory
[Melting point ]

193-196°C
[storage temp. ]

Refrigerator
[solubility ]

DMF: 25 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): 10 mg/ml
[form ]

A crystalline solid
[color ]

White to off-white
[Major Application]

pharmaceutical small molecule
[InChIKey]

MIIIKWNQFDQJGS-OZYVVJTJNA-N
[SMILES]

C([C@H]1CC2=CC(OC)=C(OC)C=C12)NCCCN1CCC2=CC(OC)=C(OC)C=C2CC1=O.Cl |&1:1,r|
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS09
[Signal word ]

Warning
[Hazard statements ]

H400-H410
[Precautionary statements ]

P273-P391-P501
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Repr. 1B
STOT RE 2
Hazard InformationBack Directory
[Description]

N-desmethyl Ivabradine is an active metabolite of ivabradine . Ivabradine is metabolized by the cytochrome P450 (CYP) isoform CYP3A4.
[Chemical Properties]

Beige Solid
[Uses]

Ivabradine (I940500) metabolite.
[References]

[1] GIAN MARCO ROSA. An evaluation of the pharmacokinetics and pharmacodynamics of ivabradine for the treatment of heart failure.[J]. Expert Opinion on Drug Metabolism & Toxicology, 2014, 10 2: 279-291. DOI: 10.1517/17425255.2014.876005
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