Cyanopindolol
Basic information
- CAS
69906-85-0- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12- InChIKey
QXIUMMLTJVHILT-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Overview
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile is a member of indoles.
Names & identifiers
- Preferred name
- Cyanopindolol
- IUPAC
- 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
- English name
- (-)-Cyanopindolol hemifumarate
- Molecular formula
- C16H21N3O2
- Molecular weight
- 287.36
Names & synonyms
Cyanopindolol69906-85-04-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-indole-2-carbonitrileRefChem:1291094K0SD5SNFS(+-)-Cyanopindolol106469-57-21H-Indole-2-carbonitrile, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-Indole-2-carbonitrile, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-Cyanopindolol (methyl)(+/-)-Cyanopindolol
Show more names
(±)Cyanopindolol hemifumarate(+/-)Cyanopindolol hemifumarates(-)-cyanopindolol hemifumarate salt4-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-1H-indole-2-c arbonitrile4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]-1h-indole-2-carbonitrile hemifumarate salt
Cyanopindolol, (+/-)-CYANOPINDOLOL(+/-)GTPL132SCHEMBL353756CHEMBL378501orb2646175SCHEMBL29386877BDBM81499
Database identifiers
- CAS
69906-85-0- PubChem CID
- 155346
- DTXSID
DTXSID201027570- ChEMBL
CHEMBL378501- ChEBI
CHEBI:125406- UNII
- BZ73Z299Z2
- Nikkaji
- J21.583J、J356.055D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 250 · 250-252℃
- solubility
- 2 O: · H2O: 0.6 mg/mL
- form
- solid
- color
- off-white
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesS(-)-Cyanopindolol Hemifumarate Salt is a 5-HT1A/1B serotonin receptor & β-adrenoceptor antagonist.
Additional notes
DefinitionChEBI: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile is a member of indoles.
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Compound notes
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