Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H20N3O3S.Na |
Molecular Weight | 381.424 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].COCCCOC1=CC=NC(C[S+]([O-])C2=NC3=C([N-]2)C=CC=C3)=C1C
InChI
InChIKey=KRCQSTCYZUOBHN-UHFFFAOYSA-N
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
Molecular Formula | C18H21N3O3S |
Molecular Weight | 359.443 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:39:45 UTC 2023
by
admin
on
Fri Dec 15 16:39:45 UTC 2023
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Record UNII |
3L36P16U4R
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Record Status |
Validated (UNII)
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CHEMBL1219
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8769
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100000090030
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m9476
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3L36P16U4R
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SUB04192MIG
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3L36P16U4R
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14720269
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226868
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1598019
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GG-101
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DBSALT000552
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DTXSID3044205
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759270
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C80692
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117976-90-6
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