Basic information
- CAS
58323-00-5- Standard SMILES
Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@@H](NC(=O)CCN(C)C)[C@H]1O2.Cl- InChIKey
DUSDTMAKAHTBJT-OYXQGUJPSA-N- Molecular formula
- C19H27ClN2O3
- Average molar mass
- 366.9 g/mol
- Monoisotopic mass
- 366.1710204
Names & identifiers
- Preferred name
- Propanamide, 3-(dimethylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-benzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
- IUPAC
- N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-(dimethylamino)propanamide;hydrochloride
Names & synonyms
58323-00-5Propanamide, 3-(dimethylamino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-benzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-RefChem:374071DTXSID609738623-(Dimethylamino)-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)propanimidic acid--hydrogen chloride (1/1)3-(Dimethylamino)-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 (1/1)
Database identifiers
- CAS
58323-00-5- PubChem CID
- 3045104
- DTXSID
DTXSID60973862
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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