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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H17NO2
Molecular Weight 195.2582
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Anhydroecgonine ethyl ester

SMILES

[H][C@@]12CC[C@@]([H])(N1C)C(=CC2)C(=O)OCC

InChI

InChIKey=YNQKCHQJQNRNHW-PSASIEDQSA-N
InChI=1S/C11H17NO2/c1-3-14-11(13)9-6-4-8-5-7-10(9)12(8)2/h6,8,10H,3-5,7H2,1-2H3/t8-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:07 GMT 2023
Record UNII
NK68KDX4WF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Anhydroecgonine ethyl ester
Common Name English
8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-methyl-, ethyl ester, (1R,5S)-
Systematic Name English
AEEE
Common Name English
(R)-Anhydroecgonine ethyl ester
Common Name English
Ethylecgonidine
Common Name English
Ecgonidine ethyl ester
Common Name English
(-)-Anhydroecgonine ethyl ester
Common Name English
(1R,5S)-ethyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Systematic Name English
Code System Code Type Description
CAS
73045-45-1
Created by admin on Sat Dec 16 19:47:07 GMT 2023 , Edited by admin on Sat Dec 16 19:47:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID101310346
Created by admin on Sat Dec 16 19:47:07 GMT 2023 , Edited by admin on Sat Dec 16 19:47:07 GMT 2023
PRIMARY
PUBCHEM
25222744
Created by admin on Sat Dec 16 19:47:07 GMT 2023 , Edited by admin on Sat Dec 16 19:47:07 GMT 2023
PRIMARY
FDA UNII
NK68KDX4WF
Created by admin on Sat Dec 16 19:47:07 GMT 2023 , Edited by admin on Sat Dec 16 19:47:07 GMT 2023
PRIMARY
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