(-)-Cocaine hydrochloride
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Molecular Identity
(-)-Cocaine hydrochloride
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
PubChem CID: 656832
2D Structure
Properties
C17H22ClNO4
Molecular Formula
339.80
Molecular Weight
g/mol
339.1237
Exact Mass
Da
55.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
432
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.ClIsomeric SMILES
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.ClSynonyms(20)
COCAINE HYDROCHLORIDE53-21-4Cocaine HClCocain-chlorhydratCocainum muriaticumDTXSID2048903Cocaine hydrochloride ciiXH8T8T6WZH(-)-Cocaine hydrochlorideGOPRELTONUMBRINOCocaine chlorideMCV 4526NIH 8211NSC-25263
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (-)-Cocaine hydrochloride
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