Tropacocaine

Tropacocaine
	Stereo Kekulé, skeletal formula of tropacocaine with some explicit hydrogens added
Names
	Systematic IUPAC name 3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
	Other names 3β-Benzoyloxytropane; Benzoylpseudotropine; Pseudotropine benzoate; Tropacaine
Identifiers
CAS Number	537-26-8 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL419588 ;
ChemSpider	10194103 ;
ECHA InfoCard	100.007.877
EC Number	208-662-4;
KEGG	C10848 ;
MeSH	tropacocaine
PubChem CID	10834; 44279436 (1R); 6942461 (1R,5R); 637578 (1R,5S); 6919033 (1S,5S);
UNII	1I92X32F6H ;
CompTox Dashboard (EPA)	DTXSID70871749 ;
	InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14- Key: XQJMXPAEFMWDOZ-BTTYYORXSA-N ;
	SMILES CN3[C@H]1CC[C@@H]3C[C@H](C1)OC(=O)c2ccccc2;
Properties
Chemical formula	C15H19NO2
Molar mass	245.322 g·mol−1
log P	2.607
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tropacocaine (tropacaine, benzoylpseudotropine, pseudotropine benzoate, descarbomethoxycocaine) is a cocaine-related alkaloid^[1] and a contaminant of street cocaine.^[2]

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Tropacocaine

Chemistry

Synthesis

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References

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Names
Stereo Kekulé, skeletal formula of tropacocaine with some explicit hydrogens added
Systematic IUPAC name 3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
Other names 3β-Benzoyloxytropane Benzoylpseudotropine Pseudotropine benzoate Tropacaine
Identifiers
CAS Number	537-26-8^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL419588^Y
ChemSpider	10194103^Y
ECHA InfoCard	100.007.877
EC Number	208-662-4
KEGG	C10848^Y
MeSH	tropacocaine
PubChem CID	10834 44279436 (1R) 6942461 (1R,5R) 637578 (1R,5S) 6919033 (1S,5S)
UNII	1I92X32F6H^Y
CompTox Dashboard (EPA)	DTXSID70871749
InChI InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-^Y Key: XQJMXPAEFMWDOZ-BTTYYORXSA-N^Y
SMILES CN3[C@H]1CC[C@@H]3C[C@H](C1)OC(=O)c2ccccc2
Properties
Chemical formula	C₁₅H₁₉NO₂
Molar mass	245.322 g·mol⁻¹
log P	2.607
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references