Details
Stereochemistry | RACEMIC |
Molecular Formula | C17H18N3O3S.Na |
Molecular Weight | 367.398 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].COC1=CC2=C([N-]C(=N2)[S+]([O-])CC3=C(C)C(OC)=C(C)C=N3)C=C1
InChI
InChIKey=RYXPMWYHEBGTRV-UHFFFAOYSA-N
InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C17H19N3O3S |
Molecular Weight | 345.416 |
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 15:16:15 UTC 2023
by
admin
on
Fri Dec 15 15:16:15 UTC 2023
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Record UNII |
KV03YZ6QLW
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29723
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95510-70-6
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C74598
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100000090186
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DD-47
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SUB03514MIG
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CHEMBL1503
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DBSALT000857
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1792108
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KV03YZ6QLW
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |