1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, hydrobromide
Basic information
- CAS
57612-22-3- Standard SMILES
Br.CN1CCc2c(c(O)c(O)c3c2CCC3)C1- InChIKey
AMZJZXQXWFWHNQ-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO2
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.05209
Names & identifiers
- Preferred name
- 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, hydrobromide
- IUPAC
- 3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline-5,6-diol;hydrobromide
Names & synonyms
3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, hydrobromide57612-22-3DTXSID902062767,8-Dihydroxy-N-methyl-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline hydrobromideRefChem:237718DTXCID90128767CHEMBL32778183-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[f]isoquinoline-5,6-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
57612-22-3- PubChem CID
- 3044686
- DTXSID
DTXSID90206276- ChEMBL
CHEMBL3277818
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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