Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H20N3O3S.Na |
| Molecular Weight | 381.424 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 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-VQIWEWKSSA-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/t25-;/m1./s1
| Molecular Formula | C18H20N3O3S |
| Molecular Weight | 358.435 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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
Sat Dec 16 15:40:52 GMT 2023
by
admin
on
Sat Dec 16 15:40:52 GMT 2023
|
| Record UNII |
O7PHQ4KA8X
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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300000034947
Created by
admin on Sat Dec 16 15:40:52 GMT 2023 , Edited by admin on Sat Dec 16 15:40:52 GMT 2023
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171440-18-9
Created by
admin on Sat Dec 16 15:40:52 GMT 2023 , Edited by admin on Sat Dec 16 15:40:52 GMT 2023
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O7PHQ4KA8X
Created by
admin on Sat Dec 16 15:40:52 GMT 2023 , Edited by admin on Sat Dec 16 15:40:52 GMT 2023
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10786084
Created by
admin on Sat Dec 16 15:40:52 GMT 2023 , Edited by admin on Sat Dec 16 15:40:52 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |