Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H20N3O3S.Na.H2O |
Molecular Weight | 399.44 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].COCCCOC1=CC=NC(C[S+]([O-])C2=NC3=C([N-]2)C=CC=C3)=C1C
InChI
InChIKey=HKZVUFAIQCTTTD-UHFFFAOYSA-N
InChI=1S/C18H20N3O3S.Na.H2O/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;;1H2/q-1;+1;
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
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 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:36:03 UTC 2023
by
admin
on
Sat Dec 16 01:36:03 UTC 2023
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Record UNII |
5XH0X84AHJ
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Record Status |
Validated (UNII)
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Record Version |
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-
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100000175197
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5XH0X84AHJ
Created by
admin on Sat Dec 16 01:36:03 UTC 2023 , Edited by admin on Sat Dec 16 01:36:03 UTC 2023
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71587910
Created by
admin on Sat Dec 16 01:36:03 UTC 2023 , Edited by admin on Sat Dec 16 01:36:03 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |