Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H9N2O.I |
| Molecular Weight | 264.0636 |
| 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
[I-].C[N+]1=C(\C=N\O)C=CC=C1
InChI
InChIKey=QNBVYCDYFJUNLO-UHFFFAOYSA-N
InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47796
Created by
admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
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| Code System | Code | Type | Description | ||
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7H254VC0NT
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C73847
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40164
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32038
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851
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100000081393
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CHEMBL1420
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74070-01-2
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ALTERNATIVE | |||
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65342
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202-349-6
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7760
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55052
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PRIMARY | RxNorm | ||
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SUB09988MIG
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C028797
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DTXSID80916716
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admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
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94-63-3
Created by
admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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m9092
Created by
admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD