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Details

Stereochemistry RACEMIC
Molecular Formula C12H19NO3.CH4O3S
Molecular Weight 321.39
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLTEROL MESYLATE

SMILES

CS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(O)=C1

InChI

InChIKey=RDYNLAQMERHCLU-UHFFFAOYSA-N
InChI=1S/C12H19NO3.CH4O3S/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-5(2,3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H19NO3
Molecular Weight 225.2842
Charge 0
Count
Stereochemistry RACEMIC
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 15:43:55 UTC 2023
Edited
by admin
on Fri Dec 15 15:43:55 UTC 2023
Record UNII
25CJR2TJPW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL MESYLATE
USAN  
USAN  
Official Name English
WIN 5563-3
Code English
WIN-5563-3
Code English
COLTEROL MESYLATE [USAN]
Common Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, METHANESULFONATE (SALT), (±)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, METHANESULFONATE (1:1)
Systematic Name English
(±)-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL METHANESULFONATE (SALT)
Common Name English
COLTEROL MESILATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C76019
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
PRIMARY
PUBCHEM
18177377
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
PRIMARY
FDA UNII
25CJR2TJPW
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL1159715
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
PRIMARY
CAS
17605-73-1
Created by admin on Fri Dec 15 15:43:55 UTC 2023 , Edited by admin on Fri Dec 15 15:43:55 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY