Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H30N4O9S2.C7H8O3S.2H2O |
| Molecular Weight | 802.889 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)[C@H](N)C4=CC=CC=C4)C(=O)OCOC(=O)[C@@H]5N6C(=O)C[C@@]6([H])S(=O)(=O)C5(C)C
InChI
InChIKey=KNVDAMRBJYZXRW-ZAKZIJIGSA-N
InChI=1S/C25H30N4O9S2.C7H8O3S.2H2O/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10;;/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10);2*1H2/t14-,15-,16-,17+,18+,21-;;;/m1.../s1
| Molecular Formula | C25H30N4O9S2 |
| Molecular Weight | 594.657 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:32:08 UTC 2023
by
admin
on
Fri Dec 15 18:32:08 UTC 2023
|
| Record UNII |
2M66QX49ZZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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2M66QX49ZZ
Created by
admin on Fri Dec 15 18:32:08 UTC 2023 , Edited by admin on Fri Dec 15 18:32:08 UTC 2023
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100000151757
Created by
admin on Fri Dec 15 18:32:08 UTC 2023 , Edited by admin on Fri Dec 15 18:32:08 UTC 2023
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5282436
Created by
admin on Fri Dec 15 18:32:08 UTC 2023 , Edited by admin on Fri Dec 15 18:32:08 UTC 2023
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SUB126154
Created by
admin on Fri Dec 15 18:32:08 UTC 2023 , Edited by admin on Fri Dec 15 18:32:08 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |