Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H15Cl3N2S.HNO3 |
Molecular Weight | 460.762 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[N+]([O-])=O.ClC1=CC=C(CSC(CN2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C=C1
InChI
InChIKey=CRKGMGQUHDNAPB-UHFFFAOYSA-N
InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C514
Created by
admin on Sat Dec 16 04:48:54 UTC 2023 , Edited by admin on Sat Dec 16 04:48:54 UTC 2023
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1623681
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CHEMBL1221
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m10295
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92446-61-2
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61318-91-0
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DTXSID2045490
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100000085066
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757849
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56798
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1T89100D5U
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DBSALT001375
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C47733
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1T89100D5U
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SUB04618MIG
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65495
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59293-82-2
Created by
admin on Sat Dec 16 04:48:54 UTC 2023 , Edited by admin on Sat Dec 16 04:48:54 UTC 2023
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SUPERSEDED |
ACTIVE MOIETY
SUBSTANCE RECORD