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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, (R)-

SMILES

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

InChI

InChIKey=SVYBIDRTCKRNFA-MERQFXBCSA-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-;/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

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 Fri Dec 15 16:30:28 GMT 2023
Edited
by admin
on Fri Dec 15 16:30:28 GMT 2023
Record UNII
FZ5KSX8I2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLTEROL ACETATE, (R)-
Common Name English
1,2-BENZENEDIOL, 4-((1R)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, ACETATE (1:1)
Systematic Name English
1,2-BENZENEDIOL, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-, (R)-, ACETATE (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
118796440
Created by admin on Fri Dec 15 16:30:28 GMT 2023 , Edited by admin on Fri Dec 15 16:30:28 GMT 2023
PRIMARY
FDA UNII
FZ5KSX8I2K
Created by admin on Fri Dec 15 16:30:28 GMT 2023 , Edited by admin on Fri Dec 15 16:30:28 GMT 2023
PRIMARY
CAS
70858-21-8
Created by admin on Fri Dec 15 16:30:28 GMT 2023 , Edited by admin on Fri Dec 15 16:30:28 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER