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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO3.C2H4O2
Molecular Weight 285.3361
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=SVYBIDRTCKRNFA-RFVHGSKJSA-N
InChI=1S/C12H19NO3.C2H4O2/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-2(3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,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 C2H4O2
Molecular Weight 60.052
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 Sat Dec 16 11:13:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:43 GMT 2023
Record UNII
5DBB309PW1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL ACETATE, (S)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, (S)-, ACETATE (SALT)
Systematic Name English
1,2-BENZENEDIOL, 4-((1S)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, ACETATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
5DBB309PW1
Created by admin on Sat Dec 16 11:13:43 GMT 2023 , Edited by admin on Sat Dec 16 11:13:43 GMT 2023
PRIMARY
PUBCHEM
118796441
Created by admin on Sat Dec 16 11:13:43 GMT 2023 , Edited by admin on Sat Dec 16 11:13:43 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER