Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H32ClN7O3S2.C4H4O4 |
| Molecular Weight | 706.233 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.C[C@@H]1CCCN1CC2=C(N=C(NC(=O)C3=NC=C(N=C3)N4CCN(CCC(O)=O)[C@@H](C)C4)S2)C5=CC(Cl)=CS5
InChI
InChIKey=UXDYIZHSRKYTES-MTMKZXDCSA-N
InChI=1S/C26H32ClN7O3S2.C4H4O4/c1-16-4-3-6-33(16)14-21-24(20-10-18(27)15-38-20)30-26(39-21)31-25(37)19-11-29-22(12-28-19)34-9-8-32(17(2)13-34)7-5-23(35)36;5-3(6)1-2-4(7)8/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,35,36)(H,30,31,37);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,17+;/m1./s1
| Molecular Formula | C26H32ClN7O3S2 |
| Molecular Weight | 590.16 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 00:07:24 GMT 2025
by
admin
on
Wed Apr 02 00:07:24 GMT 2025
|
| Record UNII |
EL49U6APV6
|
| Record Status |
Validated (UNII)
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| Record Version |
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171389985
Created by
admin on Wed Apr 02 00:07:24 GMT 2025 , Edited by admin on Wed Apr 02 00:07:24 GMT 2025
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EL49U6APV6
Created by
admin on Wed Apr 02 00:07:24 GMT 2025 , Edited by admin on Wed Apr 02 00:07:24 GMT 2025
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1839583-68-4
Created by
admin on Wed Apr 02 00:07:24 GMT 2025 , Edited by admin on Wed Apr 02 00:07:24 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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