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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO3.CH4O3S
Molecular Weight 321.39
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLTEROL MESYLATE, (S)-

SMILES

CS(O)(=O)=O.CC(C)(C)NC[C@@H](O)C1=CC=C(O)C(O)=C1

InChI

InChIKey=RDYNLAQMERHCLU-RFVHGSKJSA-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)/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C12H19NO3
Molecular Weight 225.2842
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:07 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:07 UTC 2023
Record UNII
0PBQ0U36A3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL MESYLATE, (S)-
Common Name English
BENZYL ALCOHOL, .ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXY-, METHANESULFONATE (SALT), (+)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, (+)-, METHANESULFONATE (SALT)
Systematic Name English
1,2-BENZENEDIOL, 4-((1S)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, METHANESULFONATE (1:1)
Systematic Name English
D-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL METHANESULFONATE
Common Name English
COLTEROL MESYLATE, D-
Common Name English
Code System Code Type Description
FDA UNII
0PBQ0U36A3
Created by admin on Fri Dec 15 15:13:07 UTC 2023 , Edited by admin on Fri Dec 15 15:13:07 UTC 2023
PRIMARY
PUBCHEM
76956261
Created by admin on Fri Dec 15 15:13:07 UTC 2023 , Edited by admin on Fri Dec 15 15:13:07 UTC 2023
PRIMARY
CAS
23239-49-8
Created by admin on Fri Dec 15 15:13:07 UTC 2023 , Edited by admin on Fri Dec 15 15:13:07 UTC 2023
PRIMARY
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