Basic information
- CAS
81608-27-7- Standard SMILES
CC(C)NCC(O)COc1cccc2[nH]c(C#N)cc12- InChIKey
ZDFQDGBLPBGVBY-UHFFFAOYSA-N- Molecular formula
- C15H19N3O2
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.14772686
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1H-indole-2-carbonitrile
- IUPAC
- 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonitrile
- English name
- (-)-Cyanopindolol hemifumarate
- Molecular formula
- C15H19N3O2
- Molecular weight
- 273.33
Names & synonyms
81608-27-74-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1H-indole-2-carbonitrile4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1h-indole-2-carbonitrileCHEMBL26781UNII-4K0SD5SNFSSCHEMBL11064110DTXSID801002083BDBM504708151H-Indole-2-carbonitrile, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-1H-indole-2-carbonitrileDB-017839cyanopindolol
Show more names
(-)-Cyanopindolol hemifumarate
Database identifiers
- CAS
81608-27-7- PubChem CID
- 107752
- DTXSID
DTXSID801002083- ChEMBL
CHEMBL26781- UNII
- 4K0SD5SNFS
- Nikkaji
- J767.381G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 522.5 · 522.5±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 13.86 · 13.86±0.20(Predicted)
- FDA UNII
- 4 K0SD5SNFS · 4K0SD5SNFS
Chemistry & industry
Applications
UsesCyanopindolol hemifumarate is a SR-1A/SR-1B antagonist.
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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