Details
Stereochemistry | ACHIRAL |
Molecular Formula | C16H17ClN2S.C3H4O4 |
Molecular Weight | 408.899 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)=O.CN(C)CCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2
InChI
InChIKey=KKMBVRHWPGEMQT-UHFFFAOYSA-N
InChI=1S/C16H17ClN2S.C3H4O4/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19;4-2(5)1-3(6)7/h3-8,11H,9-10H2,1-2H3;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 | C16H17ClN2S |
Molecular Weight | 304.838 |
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 18:32:21 GMT 2023
by
admin
on
Fri Dec 15 18:32:21 GMT 2023
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Record UNII |
7Z80THC8RZ
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Record Status |
Validated (UNII)
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Record Version |
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12598208
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |