Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H18N2S.C3H4O4 |
Molecular Weight | 398.475 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)=O.CN1CCC(CC1)=C2C3=C(SC4=C2N=CC=C4)C=CC=C3
InChI
InChIKey=GXADCVGQKBSZAQ-UHFFFAOYSA-N
InChI=1S/C18H18N2S.C3H4O4/c1-20-11-8-13(9-12-20)17-14-5-2-3-6-15(14)21-16-7-4-10-19-18(16)17;4-2(5)1-3(6)7/h2-7,10H,8-9,11-12H2,1H3;1H2,(H,4,5)(H,6,7)
Molecular Formula | C3H4O4 |
Molecular Weight | 104.0615 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H18N2S |
Molecular Weight | 294.414 |
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 15:10:30 GMT 2023
by
admin
on
Fri Dec 15 15:10:30 GMT 2023
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Record UNII |
E6PD5WKQ63
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Record Status |
Validated (UNII)
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Record Version |
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |