Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H26N3O4S.Na |
| Molecular Weight | 451.514 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=C(OCC2COC(C)(C)OC2)C(C)=C(C[S@@+]([O-])C3=NC4=C([N-]3)C=CC=C4)N=C1
InChI
InChIKey=HXDOUUHARCBYLF-VNUFCWELSA-N
InChI=1S/C22H26N3O4S.Na/c1-14-9-23-19(13-30(26)21-24-17-7-5-6-8-18(17)25-21)15(2)20(14)27-10-16-11-28-22(3,4)29-12-16;/h5-9,16H,10-13H2,1-4H3;/q-1;+1/t30-;/m1./s1
| Molecular Formula | C22H27N3O4S |
| Molecular Weight | 429.532 |
| 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
Sat Dec 16 02:07:41 UTC 2023
by
admin
on
Sat Dec 16 02:07:41 UTC 2023
|
| Record UNII |
KDJ60607ON
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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955095-47-3
Created by
admin on Sat Dec 16 02:07:41 UTC 2023 , Edited by admin on Sat Dec 16 02:07:41 UTC 2023
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23680578
Created by
admin on Sat Dec 16 02:07:41 UTC 2023 , Edited by admin on Sat Dec 16 02:07:41 UTC 2023
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KDJ60607ON
Created by
admin on Sat Dec 16 02:07:41 UTC 2023 , Edited by admin on Sat Dec 16 02:07:41 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |