Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H19ClN2.C4H4O4 |
Molecular Weight | 390.861 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C2=CC=CC=N2
InChI
InChIKey=DBAKFASWICGISY-DASCVMRKSA-N
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C16H19ClN2 |
Molecular Weight | 274.788 |
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
Fri Dec 15 15:03:12 UTC 2023
by
admin
on
Fri Dec 15 15:03:12 UTC 2023
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Record UNII |
B10YD955QW
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Record Status |
Validated (UNII)
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Record Version |
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CFR |
21 CFR 341.12
Created by
admin on Fri Dec 15 15:03:12 UTC 2023 , Edited by admin on Fri Dec 15 15:03:12 UTC 2023
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NCI_THESAURUS |
C29578
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219-450-6
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DB09555
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DTXSID001017216
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5281070
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B10YD955QW
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SUB01628MIG
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2438-32-6
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C47478
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100000092786
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m3456
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1179005
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54828
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B10YD955QW
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CHEMBL1201353
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759156
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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RACEMATE -> ENANTIOMER |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |