U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H37NO2.CH4O3S
Molecular Weight 479.672
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUADAZOCINE MESYLATE

SMILES

CS(O)(=O)=O.[H][C@]12CC3=C(C=C(O)C=C3)[C@](C)(CCN1C)[C@]2(C)CCC(=O)CCC4CCCC4

InChI

InChIKey=OKLHDYDHKBFXCK-HIYIHDMKSA-N
InChI=1S/C25H37NO2.CH4O3S/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18;1-5(2,3)4/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3;1H3,(H,2,3,4)/t23-,24+,25-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
QUADAZOCINE MESYLATE
USAN  
USAN  
Official Name English
3-PENTANONE, 1-CYCLOPENTYL-5-((2R,6S,11S)-1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, METHANESULFONATE (SALT)
Common Name English
(-)-(2R,6S,11S)-1-CYCLOPENTYL-5-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-3-PENTANONE METHANESULFONATE (SALT)
Common Name English
Quadazocine mesilate [WHO-DD]
Common Name English
3-PENTANONE, 1-CYCLOPENTYL-5-((2R,6S,11S)-1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, METHANESULPHONATE (SALT)
Common Name English
(-)-(2R,6S,11S)-1-CYCLOPENTYL-5-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-3-PENTANONE METHANESULPHONATE (SALT)
Common Name English
WIN-44441-3
Code English
QUADAZOCINE MESILATE
WHO-DD  
Common Name English
3-PENTANONE, 1-CYCLOPENTYL-5-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, (2R-(2.ALPHA.,6.ALPHA.,11S*))-, METHANESULFONATE (SALT)
Common Name English
3-PENTANONE, 1-CYCLOPENTYL-5-((2R,6S,11S)-1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, METHANESULFONATE (1:1)
Systematic Name English
WIN 44,441-3
Code English
3-PENTANONE, 1-CYCLOPENTYL-5-(1,2,3,4,5,6-HEXAHYDRO-8-HYDROXY-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-11-YL)-, (2R-(2.ALPHA.,6.ALPHA.,11S*))-, METHANESULPHONATE (SALT)
Common Name English
QUADAZOCINE MESYLATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67413
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2111022
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID20991582
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
PUBCHEM
24847759
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
NCI_THESAURUS
C80587
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
FDA UNII
582SS143QX
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
CAS
71276-44-3
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY
USAN
W-25
Created by admin on Fri Dec 15 16:02:00 UTC 2023 , Edited by admin on Fri Dec 15 16:02:00 UTC 2023
PRIMARY