Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H22N4O7.C2HF3O2 |
| Molecular Weight | 460.3597 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O
InChI
InChIKey=DAGFMLSFZMOWFA-WWIZLJSCSA-N
InChI=1S/C13H22N4O7.C2HF3O2/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18;3-2(4,5)1(6)7/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17);(H,6,7)/t6-,7+,9+,10+,11+;/m0./s1
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H22N4O7 |
| Molecular Weight | 346.3364 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:16:24 GMT 2025
by
admin
on
Mon Mar 31 22:16:24 GMT 2025
|
| Record UNII |
J516WFO3MJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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203120-18-7
Created by
admin on Mon Mar 31 22:16:24 GMT 2025 , Edited by admin on Mon Mar 31 22:16:24 GMT 2025
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J516WFO3MJ
Created by
admin on Mon Mar 31 22:16:24 GMT 2025 , Edited by admin on Mon Mar 31 22:16:24 GMT 2025
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PRIMARY | |||
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11753979
Created by
admin on Mon Mar 31 22:16:24 GMT 2025 , Edited by admin on Mon Mar 31 22:16:24 GMT 2025
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PRIMARY | |||
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m6676
Created by
admin on Mon Mar 31 22:16:24 GMT 2025 , Edited by admin on Mon Mar 31 22:16:24 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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