Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H36ClN7O10S2 |
| Molecular Weight | 766.241 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C=CC(C(=O)NCC[N+]5(CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C4=CSC(N)=N4)C3=O)C([O-])=O)CCCC5)=C1Cl
InChI
InChIKey=UCHYYVODFWKSCG-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(40)23(48-3)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 / 3 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 05:49:02 GMT 2025
by
admin
on
Wed Apr 02 05:49:02 GMT 2025
|
| Record UNII |
U0PVN6Y2NU
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
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2243393-93-1
Created by
admin on Wed Apr 02 05:49:02 GMT 2025 , Edited by admin on Wed Apr 02 05:49:02 GMT 2025
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U0PVN6Y2NU
Created by
admin on Wed Apr 02 05:49:02 GMT 2025 , Edited by admin on Wed Apr 02 05:49:02 GMT 2025
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145950361
Created by
admin on Wed Apr 02 05:49:02 GMT 2025 , Edited by admin on Wed Apr 02 05:49:02 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
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PARENT -> METABOLITE |
URINE
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