Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H9N2O.Cl |
Molecular Weight | 172.612 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Assumed E-isomer (MM2 minimum energy for E and Z isomers of moieties are 9.9968 and 13.3275 kcal/mol) |
SHOW SMILES / InChI
SMILES
[Cl-].C[N+]1=C(\C=N\O)C=CC=C1
InChI
InChIKey=HIGSLXSBYYMVKI-UHFFFAOYSA-N
InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Molecular Formula | C7H8N2O |
Molecular Weight | 136.1512 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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
Fri Dec 15 15:09:19 UTC 2023
by
admin
on
Fri Dec 15 15:09:19 UTC 2023
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Record UNII |
38X7XS076H
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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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NCI_THESAURUS |
C47796
Created by
admin on Fri Dec 15 15:09:20 UTC 2023 , Edited by admin on Fri Dec 15 15:09:20 UTC 2023
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CFR |
21 CFR 522.1862
Created by
admin on Fri Dec 15 15:09:19 UTC 2023 , Edited by admin on Fri Dec 15 15:09:19 UTC 2023
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5797
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55322
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200-080-9
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38X7XS076H
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14018-50-9
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C028797
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164614
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8355
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38X7XS076H
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1553000
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C66455
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m9092
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DBSALT000242
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SUB15003MIG
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CHEMBL1420
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51-15-0
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admin on Fri Dec 15 15:09:19 UTC 2023 , Edited by admin on Fri Dec 15 15:09:19 UTC 2023
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DTXSID1023495
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100000078868
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IMPURITY -> PARENT |
ASSAY (HPLC)
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ACTIVE MOIETY |
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