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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO.CH4O3S
Molecular Weight 433.604
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XORPHANOL MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]12[C@@H](C)CC(=C)C[C@@]13CCN(CC4CCC4)[C@@H]2CC5=CC=C(O)C=C35

InChI

InChIKey=VRWTWCLVCNQJGM-ZBWZZBALSA-N
InChI=1S/C23H31NO.CH4O3S/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17;1-5(2,3)4/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3;1H3,(H,2,3,4)/t16-,21+,22-,23+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
XORPHANOL MESYLATE
USAN  
USAN  
Official Name English
XORPHANOL MESYLATE [USAN]
Common Name English
TR-5379M
Code English
17-(Cyclobutylmethyl)-8β-methyl-6-methylenemorphinan-3-ol methanesulfonate (salt)
Common Name English
XORPHANOL MESILATE
Common Name English
MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-8-METHYL-6-METHYLENE-, (8.BETA.)-, METHANESULPHONATE (SALT)
Common Name English
MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-8-METHYL-6-METHYLENE-, (8.BETA.)-, METHANESULFONATE (SALT)
Common Name English
17-(CYCLOBUTYLMETHYL)-8.BETA.-METHYL-6-METHYLENEMORPHINAN-3-OL METHANESULPHONATE (SALT)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
NCI_THESAURUS C1506
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2111060
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
CAS
77287-90-2
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
NCI_THESAURUS
C152936
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID40998533
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
FDA UNII
A88BIS7IBB
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
PUBCHEM
20056969
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY
USAN
S-96
Created by admin on Fri Dec 15 15:48:55 UTC 2023 , Edited by admin on Fri Dec 15 15:48:55 UTC 2023
PRIMARY