Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H10N2O.H2O4S |
| Molecular Weight | 236.246 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.COC1=C(N)C=C(N)C=C1
InChI
InChIKey=FDJQHYWUHGBBTO-UHFFFAOYSA-N
InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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 19:21:33 GMT 2025
by
admin
on
Mon Mar 31 19:21:33 GMT 2025
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| Record UNII |
N4U4U64VRF
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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CFR |
21 CFR 740.18
Created by
admin on Mon Mar 31 19:21:33 GMT 2025 , Edited by admin on Mon Mar 31 19:21:33 GMT 2025
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NCI_THESAURUS |
C45190
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DTXSID7020398
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C44305
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300000053014
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N4U4U64VRF
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254-323-9
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5076
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m4248
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PRIMARY | Merck Index | ||
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39156-41-7
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C007294
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38221
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |