Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H13Cl2I2N2O2.Na |
| Molecular Weight | 685.056 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=CC(C(C#N)C2=CC=C(Cl)C=C2)=C(Cl)C=C1NC(=O)C3=C([O-])C(I)=CC(I)=C3
InChI
InChIKey=LREGMDNUOGTSIK-UHFFFAOYSA-M
InChI=1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);/q;+1/p-1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C250
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admin on Fri Dec 15 19:14:33 UTC 2023 , Edited by admin on Fri Dec 15 19:14:33 UTC 2023
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61438-64-0
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23683671
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0ZBS9YC04P
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C96558
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DTXSID00977001
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300000029131
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262-794-7
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ACTIVE MOIETY
SUBSTANCE RECORD
