Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H28N2O7.CH4O3S |
| Molecular Weight | 516.562 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COCCOC1=CC=C(OCC(O)CNCCOC2=CC=C(O)C(=C2)C(N)=O)C=C1
InChI
InChIKey=DXYKRAKKHMPKTD-UHFFFAOYSA-N
InChI=1S/C21H28N2O7.CH4O3S/c1-27-10-11-29-16-2-4-17(5-3-16)30-14-15(24)13-23-8-9-28-18-6-7-20(25)19(12-18)21(22)26;1-5(2,3)4/h2-7,12,15,23-25H,8-11,13-14H2,1H3,(H2,22,26);1H3,(H,2,3,4)
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H28N2O7 |
| Molecular Weight | 420.4562 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:02:49 UTC 2023
by
admin
on
Fri Dec 15 16:02:49 UTC 2023
|
| Record UNII |
1DIC482O2C
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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1DIC482O2C
Created by
admin on Fri Dec 15 16:02:49 UTC 2023 , Edited by admin on Fri Dec 15 16:02:49 UTC 2023
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183949
Created by
admin on Fri Dec 15 16:02:49 UTC 2023 , Edited by admin on Fri Dec 15 16:02:49 UTC 2023
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PRIMARY |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |