Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H24N2O2.C7H8O3S |
Molecular Weight | 484.608 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.COC2=CC=CC(OC(C)CNC(=N)CC3=CC=CC(C)=C3)=C2
InChI
InChIKey=FRJLUWKYXWADTA-UHFFFAOYSA-N
InChI=1S/C19H24N2O2.C7H8O3S/c1-14-6-4-7-16(10-14)11-19(20)21-13-15(2)23-18-9-5-8-17(12-18)22-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,12,15H,11,13H2,1-3H3,(H2,20,21);2-5H,1H3,(H,8,9,10)
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66885
Created by
admin on Fri Dec 15 17:34:47 GMT 2023 , Edited by admin on Fri Dec 15 17:34:47 GMT 2023
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C152937
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CHEMBL2110630
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2313
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6443-40-9
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100000079381
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4ZF9UZ56C7
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SUB00119MIG
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DTXSID00983001
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22950
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ACTIVE MOIETY
SUBSTANCE RECORD