Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H16O6.C12H16N2S |
Molecular Weight | 608.703 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCCN=C1\C=C\C2=C(C)C=CS2.OC(=O)C3=CC4=C(C=CC=C4)C(CC5=C6C=CC=CC6=CC(C(O)=O)=C5O)=C3O
InChI
InChIKey=YYUHRHGRIAUGKT-RCKHEGBHSA-N
InChI=1S/C23H16O6.C12H16N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h1-10,24-25H,11H2,(H,26,27)(H,28,29);4-6,9H,3,7-8H2,1-2H3/b;5-4+
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C12H16N2S |
Molecular Weight | 220.334 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:08:40 UTC 2023
by
admin
on
Fri Dec 15 15:08:40 UTC 2023
|
Record UNII |
J33H52K3OO
|
Record Status |
Validated (UNII)
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Record Version |
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-
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J33H52K3OO
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300000023742
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6435816
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DTXSID00174578
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20574-52-1
Created by
admin on Fri Dec 15 15:08:40 UTC 2023 , Edited by admin on Fri Dec 15 15:08:40 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |