Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C14H18Cl2N2O6S.C8H6O5 |
Molecular Weight | 595.404 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(O)C(=C1)C(O)=O.CS(=O)(=O)C2=CC=C(C=C2)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl
InChI
InChIKey=ROQRITDZGVFDNW-MHDYBILJSA-N
InChI=1S/C14H18Cl2N2O6S.C8H6O5/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;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1-3,9H,(H,10,11)(H,12,13)/t10-,12-;/m1./s1
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 |
Molecular Formula | C8H6O5 |
Molecular Weight | 182.1302 |
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
Sat Dec 16 18:21:51 GMT 2023
by
admin
on
Sat Dec 16 18:21:51 GMT 2023
|
Record UNII |
H7PD86RR8U
|
Record Status |
Validated (UNII)
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Record Version |
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-
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H7PD86RR8U
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24557-75-3
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admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
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162623746
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admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
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100000076121
Created by
admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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