Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C11H17NO3.H2O4S |
Molecular Weight | 520.594 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)NCC(O)C1=CC(O)=CC(O)=C1.CC(C)NCC(O)C2=CC(O)=CC(O)=C2
InChI
InChIKey=MKFFGUZYVNDHIH-UHFFFAOYSA-N
InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C319
Created by
admin on Fri Dec 15 15:01:09 UTC 2023 , Edited by admin on Fri Dec 15 15:01:09 UTC 2023
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CHEMBL776
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m7272
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5874-97-5
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DBSALT000295
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6804
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227-539-6
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GJ20H50YF0
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441333
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SUB03533MIG
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83332
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1395500
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100000085920
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C47605
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DTXSID4045391
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ACTIVE MOIETY
SUBSTANCE RECORD