Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13N3.C7H6O3 |
| Molecular Weight | 349.3832 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Meso |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C=CC=C1.C2[C@H]3CNC[C@@H]2C4=CC5=NC=CN=C5C=C34
InChI
InChIKey=WXQZSRYAESPDCB-UFIFRZAQSA-N
InChI=1S/C13H13N3.C7H6O3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;8-6-4-2-1-3-5(6)7(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-4,8H,(H,9,10)/t8-,9+;
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.2624 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.1207 |
| 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
Sat Dec 16 19:26:52 UTC 2023
by
admin
on
Sat Dec 16 19:26:52 UTC 2023
|
| Record UNII |
CK3L47ZRJ4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
300000044200
Created by
admin on Sat Dec 16 19:26:53 UTC 2023 , Edited by admin on Sat Dec 16 19:26:53 UTC 2023
|
PRIMARY | |||
|
CK3L47ZRJ4
Created by
admin on Sat Dec 16 19:26:53 UTC 2023 , Edited by admin on Sat Dec 16 19:26:53 UTC 2023
|
PRIMARY | |||
|
135373188
Created by
admin on Sat Dec 16 19:26:53 UTC 2023 , Edited by admin on Sat Dec 16 19:26:53 UTC 2023
|
PRIMARY | |||
|
2093452-45-8
Created by
admin on Sat Dec 16 19:26:53 UTC 2023 , Edited by admin on Sat Dec 16 19:26:53 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|