Basic information
- CAS
17952-75-9- Standard SMILES
CC1NCCc2c1[nH]c1cc(O)ccc21- InChIKey
AZTMWIPCEFFOJD-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Overview
Tetrahydroharmol is a harmala alkaloid.
Names & identifiers
- Preferred name
- 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indol-7-ol
- IUPAC
- 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol
Names & synonyms
TetrahydroharmolDHR7GV467K17952-75-91-Methyl-1H,2H,3H,4H,9H-pyrido(3,4-b)indol-7-ol2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indol-7-ol1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-7-olRefChem:1059198Harmalol, dihydro-Tetrahydroharmol hydrochlorideUNII-DHR7GV467K1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol1H-Pyrido(3,4-b)indol-7-ol, 2,3,4,9-tetrahydro-1-methyl-
Show more names
Tetrahydroharmalol hydrochloride1,2-DihydroharmalineCHEMBL14122SCHEMBL8321957AZTMWIPCEFFOJD-UHFFFAOYSA-NCHEBI:191646DTXSID101027096NCI60_013482
Database identifiers
- CAS
17952-75-9- PubChem CID
- 368982
- DTXSID
DTXSID101027096- ChEMBL
CHEMBL14122- ChEBI
CHEBI:191646- UNII
- DHR7GV467K
- Nikkaji
- J697.320E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Melting Point254 - 255 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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