Oliveroline hydrochloride
Basic information
- CAS
62504-55-6- Standard SMILES
CN1CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3.Cl- InChIKey
SMCWYRTZZQNLFM-QJHJCNPRSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- Oliveroline hydrochloride
- IUPAC
- (12S,13S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol;hydrochloride
Names & synonyms
Oliveroline hydrochlorideNSC-287451DTXSID90978103(-)-OLIVEROLINE HYDROCHLORIDE(7aS,8S)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol--hydrogen chloride (1/1)5H-BENZO(G)-1,3-BENZODIOXOLO(6,5,4-DE)QUINOLIN-8-OL, 6,7,7A,8-TETRAHYDRO-7-METHYL-, (7AS,8S)-, HYDROCHLORIDE
Database identifiers
- CAS
62504-55-6- PubChem CID
- 21144729
- DTXSID
DTXSID90978103- UNII
- 2Y8ZBF5RC5
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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