Benanserin
Basic information
- CAS
441-91-8- Standard SMILES
COc1ccc2c(c1)c(CCN)c(C)n2Cc1ccccc1- InChIKey
RPSOLZRELOLSFM-UHFFFAOYSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- Benanserin
- IUPAC
- 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine
- English name
- Benanserine
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
Benanserin441-91-8UNII-9G5WZ7RO2D9G5WZ7RO2D1-Benzyl-2-methyl-5-methoxytryptamineDTXSID401960375-Methoxy-2-methyl-1-(phenylmethyl)-1H-indole-3-ethanamine1H-Indole-3-ethanamine, 5-methoxy-2-methyl-1-(phenylmethyl)-RefChem:116946DTXCID50118528BENANSERINEOprea1_331807
Show more names
1-Benzyl-5-methoxy-2-methyl-1H-indole-3-ethan-1-amine
CBDivE_000733SCHEMBL2734622CHEMBL1740857SCHEMBL302618492-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethanamine2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethan-1-amineSTK367796AKOS001609194
Database identifiers
- CAS
441-91-8- PubChem CID
- 9925
- DTXSID
DTXSID40196037- ChEMBL
CHEMBL1740857- UNII
- 9G5WZ7RO2D
- Nikkaji
- J5.743F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- FDA UNII
- 9 G5WZ7RO2D · 9G5WZ7RO2D
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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