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.CC3(C)S[C@@H]4[C@H](NC(=O)CC5=CC=CC=C5)C(=O)N4[C@H]3C(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
Mon Mar 31 18:19:25 GMT 2025
by
admin
on
Mon Mar 31 18:19:25 GMT 2025
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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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admin on Mon Mar 31 18:19:25 GMT 2025 , Edited by admin on Mon Mar 31 18:19:25 GMT 2025
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1538-11-0
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admin on Mon Mar 31 18:19:25 GMT 2025 , Edited by admin on Mon Mar 31 18:19:25 GMT 2025
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DTXSID20934818
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admin on Mon Mar 31 18:19:25 GMT 2025 , Edited by admin on Mon Mar 31 18:19:25 GMT 2025
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197739
Created by
admin on Mon Mar 31 18:19:25 GMT 2025 , Edited by admin on Mon Mar 31 18:19:25 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |