Basic information
- CAS
3380-76-5- Standard SMILES
COc1cc(C2NCCc3c2[nH]c2ccccc32)cc(OC)c1OC.Cl- InChIKey
GNGITEBMIOBPMF-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O3
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1397203
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-6)indole, 1,2,3,4-tetrahydro-1-(3,4,5-methoxyphenyl)-, hydrochloride
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Names & synonyms
1-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydronorharman hydrochloride3380-76-59H-Pyrido(3,4-6)indole, 1,2,3,4-tetrahydro-1-(3,4,5-methoxyphenyl)-, hydrochlorideRefChem:313626DTXSID809553821-(3,4,5-Trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
3380-76-5- PubChem CID
- 201173
- DTXSID
DTXSID80955382
Properties
Computed structural properties
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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