Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C21H27N5O9S2 |
| Molecular Weight | 557.597 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CSC(N)=N3)C(=O)OC(C)OC(=O)OC(C)C
InChI
InChIKey=LTINZAODLRIQIX-FBXRGJNPSA-N
InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1
| Molecular Formula | C21H27N5O9S2 |
| Molecular Weight | 557.597 |
| 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 15:52:27 UTC 2023
by
admin
on
Fri Dec 15 15:52:27 UTC 2023
|
| Record UNII |
2TB00A1Z7N
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:52:27 UTC 2023 , Edited by admin on Fri Dec 15 15:52:27 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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100000091579
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2TB00A1Z7N
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555
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CHEMBL1201016
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759161
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DTXSID1022766
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2TB00A1Z7N
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47835
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admin on Fri Dec 15 15:52:27 UTC 2023 , Edited by admin on Fri Dec 15 15:52:27 UTC 2023
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87239-81-4
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6526396
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DBSALT001354
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SUB01132MIG
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C053267
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3505
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C28916
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AA-15
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1098027
Created by
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m3212
Created by
admin on Fri Dec 15 15:52:27 UTC 2023 , Edited by admin on Fri Dec 15 15:52:27 UTC 2023
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
METABOLITE ACTIVE -> PRODRUG |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|