Basic information
- Standard SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C- InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
- IUPAC
- methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Names & synonyms
AllococaineMethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylatePseudococaine -(+)-CocaineCocainzusatzerac-Allococaine21030-42-2668-19-9(-)-Cocaine baseNCGC00159467-02NCGC00159467-03SCHEMBL21931
Show more names
MLS002320697CHEMBL32363DivK1c_000975SCHEMBL8391141Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate #BDBM86207KBio1_000975NINDS_000975
Database identifiers
- PubChem CID
- 2826
- ChEMBL
CHEMBL32363- Nikkaji
- J23.930E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals -> Illicit drugs and related compounds -> Stimulants -> Recreational drugs -> Anaesthetics
Related reactions
2 records
Compound notes
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