Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H11N3O2.H2O |
| Molecular Weight | 283.282 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=NC2=CC=C3N=C(NC3=C2C(O)=C1)C4=CC=CO4
InChI
InChIKey=ICNOCAYNXHYQDZ-UHFFFAOYSA-N
InChI=1S/C15H11N3O2.H2O/c1-8-7-11(19)13-9(16-8)4-5-10-14(13)18-15(17-10)12-3-2-6-20-12;/h2-7H,1H3,(H,16,19)(H,17,18);1H2
| Molecular Formula | C15H11N3O2 |
| Molecular Weight | 265.2667 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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
Mon Mar 31 18:18:38 GMT 2025
by
admin
on
Mon Mar 31 18:18:38 GMT 2025
|
| Record UNII |
9745E7HEBG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C250
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
58503-80-3
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY | |||
|
9745E7HEBG
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY | |||
|
CHEMBL2104697
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY | |||
|
DTXSID70207226
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY | |||
|
71587194
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY | |||
|
C72146
Created by
admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |