9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl-, hydrochloride, hydrate
Basic information
- CAS
73840-51-4- Standard SMILES
COc1ccc2c(c1)[nH]c1c(C)nccc12.Cl.O- InChIKey
UZMFFWBTNQLUFW-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl-, hydrochloride, hydrate
- IUPAC
- 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrate;hydrochloride
Names & synonyms
9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl-, hydrochloride, hydrate73840-51-4DTXSID10224412RefChem:1075101DTXCID10146903Harmine hydrochloride hydrate7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole hydrochloride hydrateSCHEMBL669625CHEMBL4868187-Methoxy-1-methyl-9H-pyrido[3,4-b]indole--hydrogen chloride--water (1/1/1)
Database identifiers
- CAS
73840-51-4- PubChem CID
- 5487749
- DTXSID
DTXSID10224412- ChEMBL
CHEMBL486818
Properties
Computed structural properties
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…