Basic information
- CAS
83498-72-0- Standard SMILES
CC(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12- InChIKey
WGSPBWSPJOBKNT-UHFFFAOYSA-N- Molecular formula
- C15H18IN3O2
- Average molar mass
- 399.23 g/mol
- Monoisotopic mass
- 399.04437
Overview
A highly selective and specific beta antagonist that is used to characterize beta-adrenoceptors.
Names & identifiers
- Preferred name
- Iodocyanopindolol
- IUPAC
- 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile
- English name
- Iodocyanopindolol
- Molecular formula
- C15H18IN3O2
- Molecular weight
- 399.23
Names & synonyms
IodocyanopindololI-CyanopindololI Cyanopindolol83498-72-01H-Indole-2-carbonitrile, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-iodo-WP4LUA5RAK4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile4-(2-hydroxy-3-(propan-2-ylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile1H-Indole-2-carbonitrile, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-iodo-RefChem:1485214-(3-(tert-butylamino)-2-hydroxypropoxy)-3-iodo-1-indole-2-carbonitrileCHEBI:73370
Show more names
(-)-3-Iodocyanopindolol(-)-4-[3-(tert-Butylamino)-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile(-)-4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile
ICYPDTXSID901003484GTPL7583SCHEMBL29429333L000315Q270780814-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-3-iodo-1H-indole-2-carbonitrile4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}-3-iodo-1H-indole-2-carbonitrile
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 384
Physicochemical properties
- Boiling point
- 581.5 · 581.5±50.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 12.48 · 12.48±0.30(Predicted)
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.
Suppliers1 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
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Compound notes
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