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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO2.ClH
Molecular Weight 231.7195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETERENOL HYDROCHLORIDE

SMILES

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

InChI

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

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 ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Targets

Targets

Primary TargetPharmacologyConditionPotency
4270.0 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:22:16 UTC 2021
Edited
by admin
on Sat Jun 26 09:22:16 UTC 2021
Record UNII
RCH64O2H56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL HYDROCHLORIDE
USAN  
USAN  
Official Name English
AL 842
Code English
(+/-)-P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)BENZYL ALCOHOL HYDROCHLORIDE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE (+/-)-
Systematic Name English
DL-1-(4-HYDROXYPHENYL)-2-(ISOPROPYLAMINO)ETHANOL HYDROCHLORIDE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
(+/-)-1-(4-HYDROXYPHENYL)-2-ISOPROPYLAMINOETHANOL HYDROCHLORIDE
Systematic Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE
Systematic Name English
DETERENOL HCL
Common Name English
AL-842
Code English
DETERENOL HYDROCHLORIDE [USAN]
Common Name English
Classification Tree Code System Code
DSLD 3973 (Number of products:19)
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
Code System Code Type Description
ChEMBL
CHEMBL109378
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
PRIMARY
PUBCHEM
168902
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
PRIMARY
NCI_THESAURUS
C169888
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
PRIMARY
FDA UNII
RCH64O2H56
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
PRIMARY
CAS
23239-36-3
Created by admin on Sat Jun 26 09:22:16 UTC 2021 , Edited by admin on Sat Jun 26 09:22:16 UTC 2021
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY