Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H16N4O3.C4H6O4 |
| Molecular Weight | 646.6489 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
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=YCQWGDWFVIEPBB-KAVFMPKWSA-N
InChI=1S/2C12H16N4O3.C4H6O4/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)/t2*8-,9+;/m11./s1
| 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 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:00:54 GMT 2023
by
admin
on
Fri Dec 15 19:00:54 GMT 2023
|
| Record UNII |
94MER933EX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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1246200-39-4
Created by
admin on Fri Dec 15 19:00:54 GMT 2023 , Edited by admin on Fri Dec 15 19:00:54 GMT 2023
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94MER933EX
Created by
admin on Fri Dec 15 19:00:54 GMT 2023 , Edited by admin on Fri Dec 15 19:00:54 GMT 2023
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135565145
Created by
admin on Fri Dec 15 19:00:54 GMT 2023 , Edited by admin on Fri Dec 15 19:00:54 GMT 2023
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DTXSID10154442
Created by
admin on Fri Dec 15 19:00:54 GMT 2023 , Edited by admin on Fri Dec 15 19:00:54 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
