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;
Approval Year
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Common Name | English |
| Code System | Code | Type | Description | ||
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1033853-22-3
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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100000175197
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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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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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD