Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H14N2O3.BrH |
| Molecular Weight | 315.163 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.CO[C@@]1(COC2=CC=CC=C2O1)C3=NCCN3
InChI
InChIKey=HHOPTWIORLDHIT-UTONKHPSSA-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/t12-;/m1./s1
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 16:47:04 GMT 2025
by
admin
on
Wed Apr 02 16:47:04 GMT 2025
|
| Record UNII |
LZZ8E945TG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
89195-33-5
Created by
admin on Wed Apr 02 16:47:04 GMT 2025 , Edited by admin on Wed Apr 02 16:47:04 GMT 2025
|
PRIMARY | |||
|
LZZ8E945TG
Created by
admin on Wed Apr 02 16:47:04 GMT 2025 , Edited by admin on Wed Apr 02 16:47:04 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
||
|
RACEMATE -> ENANTIOMER |
|