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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO2.BrH
Molecular Weight 276.17
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETERENOL HYDROBROMIDE

SMILES

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

InChI

InChIKey=PVHCJRDBUKPCSL-UHFFFAOYSA-N
InChI=1S/C11H17NO2.BrH/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 BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Sat Dec 16 11:14:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:14:57 UTC 2023
Record UNII
2CH5GCM15K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL HYDROBROMIDE
Common Name English
BENZYL ALCOHOL, P-HYDROXY-.ALPHA.-(ISOPROPYLAMINOMETHYL)-, HYDROBROMIDE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
126961372
Created by admin on Sat Dec 16 11:14:58 UTC 2023 , Edited by admin on Sat Dec 16 11:14:58 UTC 2023
PRIMARY
FDA UNII
2CH5GCM15K
Created by admin on Sat Dec 16 11:14:58 UTC 2023 , Edited by admin on Sat Dec 16 11:14:58 UTC 2023
PRIMARY
CAS
854179-30-9
Created by admin on Sat Dec 16 11:14:58 UTC 2023 , Edited by admin on Sat Dec 16 11:14:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE