2,3,4,4a,8,9,13b,14-Octahydro-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinoline hydrochloride

HCID 36666

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Basic information

CAS: 34061-34-2
Standard SMILES: Cl.c1ccc2c(c1)CCc1cccc3c1C2CN1CCCCC31
InChIKey: LOSFVNFVCCXCEN-UHFFFAOYSA-N
Molecular formula: C21H24ClN
Average molar mass: 325.9 g/mol
Monoisotopic mass: 325.1597275

Names & identifiers

Preferred name: 2,3,4,4a,8,9,13b,14-Octahydro-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinoline hydrochloride
IUPAC: 3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaene;hydrochloride

Names & synonyms

2,3,4,4a,8,9,13b,14-Octahydro-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinoline hydrochlorideorb1695119CHEMBL2107271SCHEMBL29400028DTXSID70955619AKOS040754130D02700T347692,3,4,4a,8,9,13b,14-Octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolinato--hydrogen chlorido (1/1)2,3,4,4a,8,9,13b,14-Octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline--hydrogen chloride (1/1)3-Azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaene;hydrochloride

Database identifiers

CAS: 34061-34-2
PubChem CID: 36666
DTXSID: DTXSID70955619
ChEMBL: CHEMBL2107271

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 23
Formal charge: 0
Complexity: 405

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