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Details

Stereochemistry RACEMIC
Molecular Formula C23H35NO2.CH4O3S
Molecular Weight 453.635
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TONAZOCINE MESYLATE

SMILES

CS(O)(=O)=O.CCCCCC(=O)CC[C@]1(C)[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2C

InChI

InChIKey=CQSTVPYARYSBNS-HZLAGBECSA-N
InChI=1S/C23H35NO2.CH4O3S/c1-5-6-7-8-18(25)11-12-23(3)21-15-17-9-10-19(26)16-20(17)22(23,2)13-14-24(21)4;1-5(2,3)4/h9-10,16,21,26H,5-8,11-15H2,1-4H3;1H3,(H,2,3,4)/t21-,22+,23-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TONAZOCINE MESYLATE
USAN  
USAN  
Official Name English
WIN-42156-2
Code English
TONAZOCINE MESYLATE [USAN]
Common Name English
TONAZOCINE MESILATE
MART.  
Common Name English
WIN 42156-2
Code English
(±)-1-((2R*,6S*,11S*)-1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-3-OCTANONE METHANESULPHONATE (SALT)
Common Name English
3-OCTANONE, 1-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, METHANESULFONATE (SALT), (2.ALPHA.,6.ALPHA.,11S*)-(±)-
Common Name English
3-OCTANONE, 1-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, METHANESULPHONATE (SALT), (2.ALPHA.,6.ALPHA.,11S*)-(±)-
Common Name English
(±)-1-((2R*,6S*,11S*)-1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-3-OCTANONE METHANESULFONATE (SALT)
Common Name English
TONAZOCINE MESILATE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67413
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID90994722
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY
NCI_THESAURUS
C81379
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111044
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY
PUBCHEM
76965006
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY
CAS
73789-00-1
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY
FDA UNII
2F5K551CB4
Created by admin on Fri Dec 15 16:07:10 UTC 2023 , Edited by admin on Fri Dec 15 16:07:10 UTC 2023
PRIMARY