Details
Stereochemistry | ACHIRAL |
Molecular Formula | C2H4Cl2N6 |
Molecular Weight | 182.999 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Assumed E (MM2 minimum energy of E was13.4687 and Z was 30.0434 kcal/mol ) |
SHOW SMILES / InChI
SMILES
ClNC(=N)\N=N\C(=N)NCl
InChI
InChIKey=PMPQRINMBYHVSP-MDZDMXLPSA-N
InChI=1S/C2H4Cl2N6/c3-7-1(5)9-10-2(6)8-4/h(H2,5,7)(H2,6,8)/b10-9+
Molecular Formula | C2H4Cl2N6 |
Molecular Weight | 182.999 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:23:01 GMT 2023
by
admin
on
Fri Dec 15 15:23:01 GMT 2023
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Record UNII |
SEF8X7MXO4
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C28394
Created by
admin on Fri Dec 15 15:23:01 GMT 2023 , Edited by admin on Fri Dec 15 15:23:01 GMT 2023
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100000081578
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114
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SUB06175MIG
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m3391
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admin on Fri Dec 15 15:23:01 GMT 2023 , Edited by admin on Fri Dec 15 15:23:01 GMT 2023
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PRIMARY | Merck Index | ||
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1086250-42-1
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6312330
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9929
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207-955-4
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DTXSID00862064
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CHEMBL2106494
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C77038
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502-98-7
Created by
admin on Fri Dec 15 15:23:01 GMT 2023 , Edited by admin on Fri Dec 15 15:23:01 GMT 2023
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SEF8X7MXO4
Created by
admin on Fri Dec 15 15:23:01 GMT 2023 , Edited by admin on Fri Dec 15 15:23:01 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |