Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H36ClN7O10S2 |
| Molecular Weight | 766.241 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SCC(C[N+]4(CCNC(=O)C3=C(Cl)C(O)=C(OC)C=C3)CCCC4)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C5=CSC(N)=N5)C([O-])=O
InChI
InChIKey=VKKCGXYNMVHXAW-GNCUCHJPSA-N
InChI=1S/C31H36ClN7O10S2/c1-31(2,29(46)47)49-37-20(17-14-51-30(33)35-17)25(42)36-21-26(43)38-22(28(44)45)15(13-50-27(21)38)12-39(9-4-5-10-39)11-8-34-24(41)16-6-7-18(48-3)23(40)19(16)32/h6-7,14,21,27H,4-5,8-13H2,1-3H3,(H6-,33,34,35,36,40,41,42,44,45,46,47)/b37-20-/t21-,27-/m1/s1
| Molecular Formula | C31H36ClN7O10S2 |
| Molecular Weight | 766.241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:23:50 UTC 2023
by
admin
on
Sat Dec 16 15:23:50 UTC 2023
|
| Record UNII |
AT8L749NRU
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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145996622
Created by
admin on Sat Dec 16 15:23:50 UTC 2023 , Edited by admin on Sat Dec 16 15:23:50 UTC 2023
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PRIMARY | |||
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AT8L749NRU
Created by
admin on Sat Dec 16 15:23:50 UTC 2023 , Edited by admin on Sat Dec 16 15:23:50 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
URINE
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