3-(Cyclopropylmethyl)-7,12-dimethyl-2,3,4,5,6,7-hexahydro-1H-2,7-methano-3-benzazonin-9-ol--hydrogen chloride (1/1)
Basic information
- CAS
51478-17-2- Standard SMILES
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCCN2CC1CC1.Cl- InChIKey
SSZNOTBUDPARND-JCENJWCMSA-N- Molecular formula
- C19H28ClNO
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.1859422
Names & identifiers
- Preferred name
- 3-(Cyclopropylmethyl)-7,12-dimethyl-2,3,4,5,6,7-hexahydro-1H-2,7-methano-3-benzazonin-9-ol--hydrogen chloride (1/1)
- IUPAC
- (1R,9R,14S)-10-(cyclopropylmethyl)-1,14-dimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrochloride
Names & synonyms
51478-17-2DTXSID209658043-(Cyclopropylmethyl)-7,12-dimethyl-2,3,4,5,6,7-hexahydro-1H-2,7-methano-3-benzazonin-9-ol--hydrogen chloride (1/1)RefChem:1067028DTXCID301393463TA-4142,7-Methano-1H-3-benzazonin-9-ol, 2,3,4,5,6,7-hexahydro-3-(cyclopropylmethyl)-7,12-dimethyl-, hydrochloride, (2R-(2-alpha,7-alpha,12S*))-SCHEMBL29824227(2R,7R,12S)-3-(Cyclopropylmethyl)-7,12-dimethyl-2,3,4,5,6,7-hexahydro-1H-2,7-methano-3-benzazonin-9-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
51478-17-2- PubChem CID
- 5745296
- DTXSID
DTXSID20965804
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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