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Ivabradine HCl

CAT: 1568-C16633-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No
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CAT#:1568-C16633-10mM/1mLSize:10 mM/1mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
148849-67-6
Synonyms
S 16257-2, S-18982 D6 hydrochloride
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
CN (CCCN1CCC2=CC (=C (C=C2CC1=O) OC) OC) CC3CC4=CC (=C (C=C34) OC) OC.Cl
Molecular Formula
C27H36N2O5.HCl
Additionnal Information
Ivabradine HCl (S 16257-2, S-18982 D6 hydrochloride), a new If inhibitor with IC 50 of 2.9 μM which acts specifically on the pacemaker activity of the sinoatrial node, is a pure heart rate lowering agent.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ivabradine Hydrochloride

Ivabradine hydrochloride is a hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure. It has a role as a cardiotonic drug. It contains an ivabradine(1+).

CAS Number148849-67-6
PubChem CID3045381
IUPAC Name3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
Molecular FormulaC27H37ClN2O5
Molecular Weight505.0
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity663
SMILES
CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC.Cl
InChI
InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
InChIKey
HLUKNZUABFFNQS-ZMBIFBSDSA-N
Chemical Structure
2D Structure
2D structure of Ivabradine Hydrochloride
CAS: 148849-67-6
CID: 3045381
Formula: C27H37ClN2O5
MW: 505.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass504.2391000
Monoisotopic Mass504.2391000
Topological Polar Surface Area60.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T63014-01Ivabradine
RM-I220281-01Ivabradine USP Rc Hydroxy Ivabradine
RM-I220248-01Ivabradine USP Rc Ivabradine Amine
RM-I220246-01Ivabradine USP Rc N-Desmethyl Ivabradine
RM-I220202-01Ivabradine USP Rc Ivabradine Open Ring
OR1039743Ivabradine metabolite N-Demethyl Ivabradine (hydrochloride)
RM-I220205-01Ivabradine Impurity E (8-Demethyl Ivabradine)
RM-I220200-01Ivabradine Hydrochloride
TRC-D229135-5MGDehydro Ivabradine
abx282760-01Ivabradine HCl

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