Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H16N4O3.C4H6O4.2H2O |
| Molecular Weight | 682.6795 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OC(=O)CCC(O)=O.OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O.OC[C@H]4CN(CC5=CNC6=C5N=CNC6=O)C[C@@H]4O
InChI
InChIKey=QEJCWSHGGGKFSI-IGLFIGLUSA-N
InChI=1S/2C12H16N4O3.C4H6O4.2H2O/c2*17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19;5-3(6)1-2-4(7)8;;/h2*1,6,8-9,13,17-18H,2-5H2,(H,14,15,19);1-2H2,(H,5,6)(H,7,8);2*1H2/t2*8-,9+;;;/m11.../s1
| Molecular Formula | C12H16N4O3 |
| Molecular Weight | 264.2804 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
| 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
Mon Mar 31 20:18:42 GMT 2025
by
admin
on
Mon Mar 31 20:18:42 GMT 2025
|
| Record UNII |
A02Q2EBQ6P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C2151
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
ZZ-08
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
C152794
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
DTXSID50148961
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
A02Q2EBQ6P
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
135565883
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
CHEMBL269864
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY | |||
|
1095173-41-3
Created by
admin on Mon Mar 31 20:18:42 GMT 2025 , Edited by admin on Mon Mar 31 20:18:42 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
|
||
|
ANHYDROUS->SOLVATE |