Basic information
- CAS
61326-45-2- Standard SMILES
Cl.Oc1ccc2[nH]cc(CC3NCCc4c3[nH]c3ccc(O)cc43)c2c1- InChIKey
PTSXJBHRHPGKEN-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O2
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.1244046
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-hydroxy-1H-indol-3-yl)methyl)-, hydrochloride (1:1)
- IUPAC
- 1-[(5-hydroxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
Names & synonyms
61326-45-2RefChem:10585161H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-hydroxy-1H-indol-3-yl)methyl)-, hydrochloride (1:1)((Tetrahydro-2',3',4',9'-1H-beta-carboline-1') methyl)-3 indolyl-5 chlorhydrate [French]1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-hydroxy-3-indolyl)methyl)-, monohydrochlorideDTXSID60976833((Tetrahydro-2',3',4',9'-1H-beta-carboline-1') methyl)-3 indolyl-5 chlorhydrate1-[(5-Hydroxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
61326-45-2- PubChem CID
- 3045952
- DTXSID
DTXSID60976833
Properties
Computed structural properties
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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