Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-

HCID 3045112

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Basic information

CAS: 58323-08-3
Standard SMILES: Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@@H](NC(=O)CCN(C)CCN(C)C)[C@H]1O2.Cl.Cl
InChIKey: XXNLKSMXYNDJQH-PJSRWMATSA-N
Molecular formula: C22H35Cl2N3O3
Average molar mass: 460.4 g/mol
Monoisotopic mass: 459.2055474

Names & identifiers

Preferred name: Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-
IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide;dihydrochloride

Names & synonyms

58323-08-3Propanamide, 3-((2-(dimethylamino)ethyl)methylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-RefChem:374056DTXSID609738673-{[2-(Dimethylamino)ethyl](methyl)amino}-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)propanimidic acid--hydrogen chloride (1/2)3-{[2-(Dimethylamino)ethyl](methyl)amino}-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]propanimidic acid--hydrogen chloride (1/2)

Database identifiers

CAS: 58323-08-3
PubChem CID: 3045112
DTXSID: DTXSID60973867

Properties

Computed structural properties

Topological polar surface area: 61.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 581

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