Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C12H12BrN7.C4H6O4.2H2O |
| Molecular Weight | 822.468 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OC(=O)CCC(O)=O.CNC1CN(C1)C2=NC3=C(C=C(Br)C=N3)N4C=NN=C24.CNC5CN(C5)C6=NC7=C(C=C(Br)C=N7)N8C=NN=C68
InChI
InChIKey=YVNZCOOLQWWILL-UHFFFAOYSA-N
InChI=1S/2C12H12BrN7.C4H6O4.2H2O/c2*1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11;5-3(6)1-2-4(7)8;;/h2*2-3,6,8,14H,4-5H2,1H3;1-2H2,(H,5,6)(H,7,8);2*1H2
| 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 |
| Molecular Formula | C12H12BrN7 |
| Molecular Weight | 334.175 |
| 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
Wed Apr 02 19:46:34 GMT 2025
by
admin
on
Wed Apr 02 19:46:34 GMT 2025
|
| Record UNII |
YES67CQ4M9
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Official Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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YES67CQ4M9
Created by
admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
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2887918-80-9
Created by
admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
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171390195
Created by
admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
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PRIMARY |
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