U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (R)-

SMILES

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

InChI

InChIKey=PHSMOUBHYUFTDM-NSHDSACASA-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-/m0/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
J6J4QY7D1L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL, (R)-
Common Name English
1,2-BENZENEDIOL, 4-((1R)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-
Systematic Name English
BENZYL ALCOHOL, .ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXY-, (-)-
Systematic Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, (R)-
Systematic Name English
Code System Code Type Description
CAS
18686-58-3
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
J6J4QY7D1L
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
68550025
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