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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N3
Molecular Weight 217.3101
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ST-91

SMILES

CCC1=CC=CC(CC)=C1NC2=NCCN2

InChI

InChIKey=IALHTUPVRAQZFI-UHFFFAOYSA-N
InChI=1S/C13H19N3/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16)

HIDE SMILES / InChI

Molecular Formula C13H19N3
Molecular Weight 217.3101
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P08913
Gene ID: 150.0
Gene Symbol: ADRA2A
Target Organism: Homo sapiens (Human)
6.24 null [pKi]
Target ID: P18089
Gene ID: 151.0
Gene Symbol: ADRA2B
Target Organism: Homo sapiens (Human)
6.1 null [pKi]
Target ID: P18825
Gene ID: 152.0
Gene Symbol: ADRA2C
Target Organism: Homo sapiens (Human)
6.21 null [pKi]
PubMed

PubMed

TitleDatePubMed
Octopaminergic agonists for the cockroach neuronal octopamine receptor.
2003
Spinal adrenergic and cholinergic receptor interactions activated by clonidine in postincisional pain.
2003 May
Pharmacological characterization of a Bombyx mori alpha-adrenergic-like octopamine receptor stably expressed in a mammalian cell line.
2010 Feb
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:47 GMT 2023
Edited
by admin
on Fri Dec 15 19:39:47 GMT 2023
Record UNII
U94VU1Q8HC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ST-91
Common Name English
1H-IMIDAZOL-2-AMINE, N-(2,6-DIETHYLPHENYL)-4,5-DIHYDRO-
Systematic Name English
NC-5
Code English
Code System Code Type Description
PUBCHEM
20864
Created by admin on Fri Dec 15 19:39:47 GMT 2023 , Edited by admin on Fri Dec 15 19:39:47 GMT 2023
PRIMARY
CAS
4751-48-8
Created by admin on Fri Dec 15 19:39:47 GMT 2023 , Edited by admin on Fri Dec 15 19:39:47 GMT 2023
PRIMARY
FDA UNII
U94VU1Q8HC
Created by admin on Fri Dec 15 19:39:47 GMT 2023 , Edited by admin on Fri Dec 15 19:39:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID50197171
Created by admin on Fri Dec 15 19:39:47 GMT 2023 , Edited by admin on Fri Dec 15 19:39:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY