Chemical Component Summary

Name3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
SynonymsECGONINE METHYL ESTER
Identifiersmethyl (1S,3S,4R,5R,8S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
FormulaC10 H17 N O3
Molecular Weight199.247
TypeNON-POLYMER
Isomeric SMILESC[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChIKeyQIQNNBXHAYSQRY-UYXSQOIJSA-N

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count4
Bond Count32
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04688 
NameMethylecgonine
Groups experimental
Synonyms
  • Ecgonine methyl ester
  • Methylecgonine
Categories
  • Alkaloids
  • Analgesics
  • Aza Compounds
  • Azabicyclo Compounds
  • Central Nervous System Agents
CAS number7143-09-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Ig gamma-2 chain C regionASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGV...unknown
Ig kappa chain C regionTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 104904
ChEMBL CHEMBL1232472
ChEBI CHEBI:31529