Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H19NS2.C4H6O6 |
Molecular Weight | 463.567 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC(CC1)=C2C3=C(SC=C3)SCC4=C2C=CC=C4
InChI
InChIKey=MZMLMEHYYGYLSL-LREBCSMRSA-N
InChI=1S/C18H19NS2.C4H6O6/c1-19-9-6-13(7-10-19)17-15-5-3-2-4-14(15)12-21-18-16(17)8-11-20-18;5-1(3(7)8)2(6)4(9)10/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C18H19NS2 |
Molecular Weight | 313.48 |
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 16:53:14 GMT 2023
by
admin
on
Fri Dec 15 16:53:14 GMT 2023
|
Record UNII |
ITS7W6QMI6
|
Record Status |
Validated (UNII)
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Record Version |
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-
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197208
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100000079685
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admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023
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ITS7W6QMI6
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admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023
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DTXSID00223313
Created by
admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023
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SUB14895MIG
Created by
admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023
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73035-29-7
Created by
admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |