Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H12ClF3N4O4.C7H17NO5 |
Molecular Weight | 635.974 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.NC1=C(F)C=C(F)C(=N1)N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23
InChI
InChIKey=AHJGUEMIZPMAMR-WZTVWXICSA-N
InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Molecular Formula | C7H17NO5 |
Molecular Weight | 195.2136 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C18H12ClF3N4O4 |
Molecular Weight | 440.76 |
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 16:36:56 UTC 2023
by
admin
on
Fri Dec 15 16:36:56 UTC 2023
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Record UNII |
N7V53U4U4T
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Record Status |
Validated (UNII)
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Record Version |
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-
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11578213
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N7V53U4U4T
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352458-37-8
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TT-117
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m12032
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DTXSID90188740
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1927662
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CHEMBL2105637
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C174746
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DBSALT002486
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100000176639
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N7V53U4U4T
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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 |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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SOLUBILITY | CHEMICAL |
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FINAL pH CHEMICAL CHEMICAL PHYSICAL |
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SOLUBILITY | CHEMICAL |
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TEMPERATURE PHYSICAL CHEMICAL CHEMICAL |
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SOLUBILITY | CHEMICAL |
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FINAL pH PHYSICAL PHYSICAL PHYSICAL |
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SOLUBILITY | CHEMICAL |
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FINAL pH CHEMICAL CHEMICAL PHYSICAL |
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SOLUBILITY | CHEMICAL |
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TEMPERATURE PHYSICAL CHEMICAL CHEMICAL |