Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H14N2O3.BrH |
| Molecular Weight | 315.163 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.COC1(COC2=CC=CC=C2O1)C3=NCCN3
InChI
InChIKey=HHOPTWIORLDHIT-UHFFFAOYSA-N
InChI=1S/C12H14N2O3.BrH/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12;/h2-5H,6-8H2,1H3,(H,13,14);1H
| 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 | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1867 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
0.62 nM [Kd] | ||
Target ID: CHEMBL1942 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
3.83 nM [Kd] | ||
Target ID: CHEMBL1916 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7996470 |
1.78 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 16:43:24 GMT 2025
by
admin
on
Wed Apr 02 16:43:24 GMT 2025
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| Record UNII |
8TX9V9C9KG
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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131674-74-3
Created by
admin on Wed Apr 02 16:43:24 GMT 2025 , Edited by admin on Wed Apr 02 16:43:24 GMT 2025
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PRIMARY | |||
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8TX9V9C9KG
Created by
admin on Wed Apr 02 16:43:24 GMT 2025 , Edited by admin on Wed Apr 02 16:43:24 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
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PARENT -> SALT/SOLVATE |
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