TGN

3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER



Chemical Component Summary

Name3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
Identifiers[(1R,2R,3S,5S,8S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid
FormulaC16 H22 N O5 P
Molecular Weight339.323
TypeNON-POLYMER
Isomeric SMILESC[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC
InChIInChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1
InChIKeyWJTKWTJTOSZMKO-PMOUVXMZSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count5
Bond Count47
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB08618 
Name3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
Groups experimental
Synonyms3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER

Drug Targets

NameTarget SequencePharmacological ActionActions
Ig gamma-2 chain C regionASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGV...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 644013
ChEBI CHEBI:273574