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

Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO2
Molecular Weight 195.2582
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETERENOL

SMILES

CC(C)NCC(O)C1=CC=C(O)C=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2582
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Targets

Targets

Primary TargetPharmacologyConditionPotency
4270.0 nM [Kd]
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:46 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:46 GMT 2023
Record UNII
BR971OUC9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL
INN  
INN  
Official Name English
PARAPROTERENOL
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-
Systematic Name English
(±)-PI 39
Code English
RACTOPAMINE HYDROCHLORIDE IMPURITY N-ISOPROPYLOCTOPAMINE [USP IMPURITY]
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHY))-, (±)-
Common Name English
deterenol [INN]
Common Name English
ISOPROPYLNORSYNEPHRINE
Common Name English
4-(1-HYDROXY-2-(ISOPROPYLAMINO)ETHYL)PHENOL
Systematic Name English
BENZYL ALCOHOL, P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)-, HYDROCHLORIDE, (±)-
Common Name English
(±)-P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)BENZYL ALCOHOL
Common Name English
BENZYL ALCOHOL, P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)-
Common Name English
DL-N-ISOPROPYLOCTOPAMINE
Common Name English
PI-39
Code English
Classification Tree Code System Code
DSLD 3973 (Number of products:19)
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
Code System Code Type Description
CAS
3506-31-8
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
SUPERSEDED
SMS_ID
100000083195
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
NCI_THESAURUS
C171750
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
MESH
C001416
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
INN
3006
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
CAS
7376-66-1
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID90956502
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
PUBCHEM
23843
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
EVMPD
SUB07010MIG
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
ChEMBL
CHEMBL109378
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
FDA UNII
BR971OUC9M
Created by admin on Fri Dec 15 15:24:46 GMT 2023 , Edited by admin on Fri Dec 15 15:24:46 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY