IVABRADINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Salt
UNII: TP19837BZK
Parent Compound: IVABRADINE

Structure
InChI Key HLUKNZUABFFNQS-ZMBIFBSDSA-N
Smile COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H37ClN2O5
Molecular Weight 505.06
AlogP 3.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 60.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
17.94
Injury, poisoning and procedural complications
15.27
Nervous system disorders
10.86
General disorders and administration site conditions
8.71
Vascular disorders
7.38
Investigations
6.26
Respiratory, thoracic and mediastinal disorders
5.47
Eye disorders
5.01
Gastrointestinal disorders
3.67
Psychiatric disorders
3.48
Skin and subcutaneous tissue disorders
3.05
Metabolism and nutrition disorders
2.25

Cross References

Resources Reference
ChEBI 85969
ChEMBL CHEMBL2145077
EPA CompTox DTXSID2046913
FDA SRS TP19837BZK
PubChem 3045381
SureChEMBL SCHEMBL23470
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