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Details

Stereochemistry RACEMIC
Molecular Formula C22H28NO3.CH3O4S
Molecular Weight 465.56
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEVONIUM METILSULFATE

SMILES

COS([O-])(=O)=O.C[N+]1(C)CCCCC1COC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=AXKJGGRSAVLXTE-UHFFFAOYSA-M
InChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H28NO3
Molecular Weight 354.4626
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:36:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:36:47 UTC 2023
Record UNII
UWC15E373Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEVONIUM METILSULFATE
INN   MART.   WHO-DD  
INN  
Official Name English
2-(HYDROXYMETHYL)-1,1-DIMETHYLPIPERIDINIUM METHYLSULFATE, BENZILATE
Systematic Name English
BEVONIUM METILSULFATE [MART.]
Common Name English
BEVONIUM METHYLSULFATE [JAN]
Common Name English
bevonium metilsulfate [INN]
Common Name English
PIPERIDINIUM, 2-(((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, METHYL SULFATE (1:1)
Common Name English
ACABEL
Brand Name English
CG-201
Code English
BEVONIUM METHYL SULFATE [MI]
Common Name English
Bevonium metilsulfate [WHO-DD]
Common Name English
CG 201
Code English
BEVONIUM METILSULPHATE
Common Name English
PIRIBENZIL METHYLSULFATE
Common Name English
BEVONIUM METHYLSULFATE
JAN  
Common Name English
BEVONIUM METHYLSULPHATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
Code System Code Type Description
PUBCHEM
31799
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
NCI_THESAURUS
C72944
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
EVMPD
SUB05809MIG
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL1882461
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
226-001-8
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
CAS
5205-82-3
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID3046615
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
FDA UNII
UWC15E373Z
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
MERCK INDEX
m2467
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY Merck Index
SMS_ID
100000085874
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
INN
2456
Created by admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY