Details
Stereochemistry | MIXED |
Molecular Formula | C20H22N4O10S |
Molecular Weight | 510.474 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CC=CO3)C(=O)OC(C)OC(C)=O
InChI
InChIKey=KEJCWVGMRLCZQQ-YJBYXUATSA-N
InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1
Molecular Formula | C20H22N4O10S |
Molecular Weight | 510.474 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:37:19 UTC 2023
by
admin
on
Fri Dec 15 15:37:19 UTC 2023
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Record UNII |
Z49QDT0J8Z
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C357
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U-49
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6321416
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SUB01139MIG
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8150
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DTXSID0022775
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1098220
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20493
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566
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64544-07-6
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m3226
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CHEMBL1095930
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C040738
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758677
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C28918
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SUB127268
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DBSALT001355
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Related Record | Type | Details | ||
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METABOLITE ACTIVE -> PRODRUG |
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |