Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H21ClN6O.C4H6O4 |
| Molecular Weight | 538.983 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CC(C)(O)C1=CN=C(NC2=NC=NC3=C2CCN(C3)C4=CC(Cl)=C(C=C4)C#N)C=C1
InChI
InChIKey=JIFMEUAPBHBCSF-UHFFFAOYSA-N
InChI=1S/C22H21ClN6O.C4H6O4/c1-22(2,30)15-4-6-20(25-11-15)28-21-17-7-8-29(12-19(17)26-13-27-21)16-5-3-14(10-24)18(23)9-16;5-3(6)1-2-4(7)8/h3-6,9,11,13,30H,7-8,12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8)
| Molecular Formula | C22H21ClN6O |
| Molecular Weight | 420.895 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 19:57:17 GMT 2023
by
admin
on
Sat Dec 16 19:57:17 GMT 2023
|
| Record UNII |
VM23NCZ2PB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
2842844-51-1
Created by
admin on Sat Dec 16 19:57:17 GMT 2023 , Edited by admin on Sat Dec 16 19:57:17 GMT 2023
|
PRIMARY | |||
|
VM23NCZ2PB
Created by
admin on Sat Dec 16 19:57:17 GMT 2023 , Edited by admin on Sat Dec 16 19:57:17 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|