Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H18N2O4S.C13H13N |
Molecular Weight | 517.639 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(C1=CC=CC=C1)C2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)C(O)=O
InChI
InChIKey=QCFJTUGHFMTKSB-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C13H13N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,13H,14H2/t11-,12+,14-;/m1./s1
Molecular Formula | C16H18N2O4S |
Molecular Weight | 334.39 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C13H13N |
Molecular Weight | 183.249 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:06:57 GMT 2023
by
admin
on
Fri Dec 15 16:06:57 GMT 2023
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Record UNII |
WH3RD005B0
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Record Status |
Validated (UNII)
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Record Version |
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m383
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WH3RD005B0
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1538-11-0
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DTXSID20934818
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197739
Created by
admin on Fri Dec 15 16:06:57 GMT 2023 , Edited by admin on Fri Dec 15 16:06:57 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |