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Details

Stereochemistry RACEMIC
Molecular Formula C21H32N.CH3O4S
Molecular Weight 409.583
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FENCLEXONIUM METILSULFATE

SMILES

COS([O-])(=O)=O.C[N+]3(CCC(C1=CCCCC1)C2=CC=CC=C2)CCCCC3

InChI

InChIKey=DPQPWAGLQYSJRP-UHFFFAOYSA-M
InChI=1S/C21H32N.CH4O4S/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;1-5-6(2,3)4/h2,5-6,11-13,21H,3-4,7-10,14-18H2,1H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
FENCLEXONIUM METILSULFATE
INN  
INN  
Official Name English
FENCLEXONIUM METHYLSULFATE
Common Name English
1-(3-(1-CYCLOHEXENYL)-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM METHYLSULFATE
Systematic Name English
FENCLEXONIUM METILSULPHATE
Common Name English
fenclexonium metilsulfate [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C65642
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY
FDA UNII
88M0X6627K
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID50953017
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
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EVMPD
SUB07548MIG
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY
CAS
30817-43-7
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
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SMS_ID
100000081247
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
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ChEMBL
CHEMBL2110909
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY
INN
2396
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY
PUBCHEM
71928
Created by admin on Fri Dec 15 16:31:32 UTC 2023 , Edited by admin on Fri Dec 15 16:31:32 UTC 2023
PRIMARY