Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 3C6H8N2O2.CH3B.Cl.Tc.2H |
| Molecular Weight | 582.64 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 6 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[Cl-].[99Tc+3].[B++]C.[O-]\N=C1CCCCC\1=N\[O-].[O-]\N=C2CCCCC\2=N\[O-].[O-]\N=C3CCCCC\3=N\[O-]
InChI
InChIKey=NMPNSWDIKZLUHY-XPMJAORFSA-I
InChI=1S/3C6H10N2O2.CH3B.ClH.Tc/c3*9-7-5-3-1-2-4-6(5)8-10;1-2;;/h3*9-10H,1-4H2;1H3;1H;/q;;;+2;;+3/p-5/b3*7-5+,8-6+;;;/i;;;;;1+1
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
| Molecular Formula | CH3B |
| Molecular Weight | 25.846 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Cl |
| Molecular Weight | 35.453 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Tc |
| Molecular Weight | 98.9063 |
| Charge | 3 |
| 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
Fri Dec 15 15:53:12 UTC 2023
by
admin
on
Fri Dec 15 15:53:12 UTC 2023
|
| Record UNII |
UT0WHJ4951
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NDF-RT |
N0000000205
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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NDF-RT |
N0000177914
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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NCI_THESAURUS |
C2124
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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WHO-ATC |
V09GA03
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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CHEMBL2110653
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6468
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C060156
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100000090342
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admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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AA-58
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admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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UT0WHJ4951
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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C87409
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104716-22-5
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SUB04709MIG
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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DTXSID801026706
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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m10510
Created by
admin on Fri Dec 15 15:53:12 UTC 2023 , Edited by admin on Fri Dec 15 15:53:12 UTC 2023
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PRIMARY | Merck Index |
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