Cocaethylene
CAS Registry Number®
529-38-4
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CAS Name
CocaethyleneMolecular Formula
C18H23NO4Molecular Mass
317.38Cite this Page
Cocaethylene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=529-38-4 (retrieved ) (CAS RN: 529-38-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
109 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKey
InChIKey=NMPOSNRHZIWLLL-XUWVNRHRSA-N
SMILES
O(C(=O)C1=CC=CC=C1)[C@@H]2[C@H](C(OCC)=O)[C@@]3(N(C)[C@](C2)(CC3)[H])[H]
Canonical SMILES
O=C(OC1CC2N(C)C(CC2)C1C(=O)OCC)C=3C=CC=CC3
Other Names for this Substance
- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)-
- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-
- Cocaethylene
- Ethyl benzoylecgonine
- Homocaine
