Basic information
- CAS
91940-87-3- Standard SMILES
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC.Cl- InChIKey
ZRNKXJHEQKMWCH-UHFFFAOYSA-N- Molecular formula
- C26H37ClN2O5
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.2391
Names & identifiers
- Preferred name
- 2H-3-Benzazepin-2-one, 3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
- IUPAC
- 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
- English name
- 3-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one hydrochloride
- Molecular formula
- C26H37ClN2O5
- Molecular weight
- 493.04
Names & synonyms
Zatebradine hydrochloride91940-87-3DTXSID6045745WJB7DYV16AULFS-49CLDTXCID40257452H-3-BENZAZEPIN-2-ONE, 3-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-, HYDROCHLORIDE (1:1)RefChem:1958741,3,4,5-tetrahydro-7,8-dimethoxy-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylimino)propyl)-2H-3-benzazepin-2-one hydrochlorideZatebradine HClZatebradine (hydrochloride)UL-FS-49;UL-FS-49CL
Show more names
UL-FS49ULFS 49CLZatebradine HCl (UL-FS-49Zatebradine dihydrochlorideZatebradine hydrochloride, 10 mM in DMSO3-(3-((3,4-dimethoxyphenethyl)(methyl)amino)propyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride7,8-Dimethoxy-3-[3-[-N-[2-(3,4 dimethoxyphenyl)ethyl]-N-methylamino]propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Melting point
- 188 ° · 188° and mp 168°
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ~14 mg/mL
- form
- solid
- color
- white
- Water Solubility
- Soluble in water (100mM)
- InChI
- 1S/C26H36N2O5.ClH/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29;/h7-8,15-17H,6,9-14,18H2,1-5H3;1H
- InChIKey
- ZRNKXJHEQKMWCH-UHFFFAOYSA-N
- SMILES
- Cl[H].COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
- FDA UNII
- 7 DYV16A · WJB7DYV16A
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Applications
UsesZatebradine Hydrochloride exhibits bradycardic properties and blocks the hyperpolarization-activated cyclic nucleotide-gated (HCN). It is also a sinus node inhibitor.
Upstream & downstream products
Upstream raw materials
Suppliers33 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Related reactions
2 records
Compound notes
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