Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H20F2N2O4.CH4O3S |
Molecular Weight | 522.518 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.C[C@H]1NCC2=CC(=CC=C12)C3=CC=C4C(=O)C(=CN(C5CC5)C4=C3OC(F)F)C(O)=O
InChI
InChIKey=UPHLDCUEQOTSAD-RFVHGSKJSA-N
InChI=1S/C23H20F2N2O4.CH4O3S/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4)/t11-;/m1./s1
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C23H20F2N2O4 |
Molecular Weight | 426.4127 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:24:26 UTC 2023
by
admin
on
Sat Dec 16 00:24:26 UTC 2023
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Record UNII |
437ZKU48CF
|
Record Status |
Validated (UNII)
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Record Version |
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-
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437ZKU48CF
Created by
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100000091570
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SUB25395
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223652-82-2
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admin on Sat Dec 16 00:24:26 UTC 2023 , Edited by admin on Sat Dec 16 00:24:26 UTC 2023
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m5672
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admin on Sat Dec 16 00:24:27 UTC 2023 , Edited by admin on Sat Dec 16 00:24:27 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID4058732
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124094
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admin on Sat Dec 16 00:24:27 UTC 2023 , Edited by admin on Sat Dec 16 00:24:27 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |