Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H26NO3S.Br |
Molecular Weight | 428.384 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CS1)C2=CC=CC=C2
InChI
InChIKey=QTBFZNSOXHKZOD-UHFFFAOYSA-M
InChI=1S/C19H26NO3S.BrH/c1-4-20(3,5-2)13-14-23-18(21)19(22,17-12-9-15-24-17)16-10-7-6-8-11-16;/h6-12,15,22H,4-5,13-14H2,1-3H3;1H/q+1;/p-1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66880
Created by
admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
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DTXSID60938875
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100000083068
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2358
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CHEMBL2111008
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241-688-4
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C001985
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C90698
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17692-63-6
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SUB09540MIG
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71891
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75L83V3XCF
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admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
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ACTIVE MOIETY
SUBSTANCE RECORD