1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-((5-methoxy-3-indolyl)methyl)-, hydrochloride

HCID 3045954

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Basic information

CAS: 61326-47-4
Standard SMILES: COc1ccc2[nH]cc(CC3NCCc4c3[nH]c3ccc(OC)cc43)c2c1.Cl
InChIKey: BNFNSCPULFTIQF-UHFFFAOYSA-N
Molecular formula: C22H24ClN3O2
Average molar mass: 397.9 g/mol
Monoisotopic mass: 397.1557047

Names & identifiers

Preferred name: 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-((5-methoxy-3-indolyl)methyl)-, hydrochloride
IUPAC: 6-methoxy-1-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

Names & synonyms

1-(5'-Methoxy-3'-indolylmethyl)-6-methoxy-1,2,3,4-tetrahydro(9H)-pyrido(3,4-b)indole HCl1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-((5-methoxy-3-indolyl)methyl)-, hydrochloride61326-47-4((Methoxy-5' indolyl-3') methyl)-1 methoxy-6 tetrahydro-2,3,4,9-1H-beta-carboline chlorhydrateRefChem:240211DTXSID209768346-Methoxy-1-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)

Database identifiers

CAS: 61326-47-4
PubChem CID: 3045954
DTXSID: DTXSID20976834

Properties

Computed structural properties

Topological polar surface area: 62.1 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 518

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