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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO2.C2H4O2
Molecular Weight 255.3106
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETERENOL ACETATE

SMILES

CC(C)NCC(c1ccc(cc1)O)O.CC(=O)O

InChI

InChIKey=RQAISLPMVAAADT-UHFFFAOYSA-N
InChI=1S/C11H17NO2.C2H4O2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9;1-2(3)4/h3-6,8,11-14H,7H2,1-2H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2586
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 Jun 26 03:56:29 UTC 2021
Edited
by admin
on Sat Jun 26 03:56:29 UTC 2021
Record UNII
BLO5PSU8OW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL ACETATE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, ACETATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
BLO5PSU8OW
Created by admin on Sat Jun 26 03:56:29 UTC 2021 , Edited by admin on Sat Jun 26 03:56:29 UTC 2021
PRIMARY
CAS
1644449-83-1
Created by admin on Sat Jun 26 03:56:29 UTC 2021 , Edited by admin on Sat Jun 26 03:56:29 UTC 2021
PRIMARY
PUBCHEM
126961381
Created by admin on Sat Jun 26 03:56:29 UTC 2021 , Edited by admin on Sat Jun 26 03:56:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE