Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C14H18Cl2N2O6S.C5H9NO3S |
Molecular Weight | 576.468 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H](CS)C(O)=O.CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl
InChI
InChIKey=PEGBMQRZXOKYCO-XGBIXHFLSA-N
InChI=1S/C14H18Cl2N2O6S.C5H9NO3S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;1-3(7)6-4(2-10)5(8)9/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);4,10H,2H2,1H3,(H,6,7)(H,8,9)/t10-,12-;4-/m10/s1
Molecular Formula | C5H9NO3S |
Molecular Weight | 163.195 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C14H18Cl2N2O6S |
Molecular Weight | 413.274 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:47:54 UTC 2023
by
admin
on
Fri Dec 15 18:47:54 UTC 2023
|
Record UNII |
7I3XBP3IFP
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Record Status |
Validated (UNII)
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Record Version |
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-
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243-572-9
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admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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7I3XBP3IFP
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admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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44147002
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admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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100000084824
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SUB04804MIG
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admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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DTXSID10942260
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admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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20192-91-0
Created by
admin on Fri Dec 15 18:47:54 UTC 2023 , Edited by admin on Fri Dec 15 18:47:54 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |