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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO3
Molecular Weight 225.2842
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:13 UTC 2023
Edited
by admin
on Sat Dec 16 11:02:13 UTC 2023
Record UNII
7Q06BB7WF7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL, (S)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL), (S)-
Systematic Name English
BENZYL ALCOHOL, .ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXY-, (+)-
Systematic Name English
1,2-BENZENEDIOL, 4-((1S)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-
Systematic Name English
Code System Code Type Description
CAS
46719-52-2
Created by admin on Sat Dec 16 11:02:13 UTC 2023 , Edited by admin on Sat Dec 16 11:02:13 UTC 2023
PRIMARY
PUBCHEM
24994231
Created by admin on Sat Dec 16 11:02:13 UTC 2023 , Edited by admin on Sat Dec 16 11:02:13 UTC 2023
PRIMARY
FDA UNII
7Q06BB7WF7
Created by admin on Sat Dec 16 11:02:13 UTC 2023 , Edited by admin on Sat Dec 16 11:02:13 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER