Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H19ClN2O.C4H4O4 |
Molecular Weight | 406.86 |
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)CCO[C@H](C1=CC=C(Cl)C=C1)C2=CC=CC=N2
InChI
InChIKey=GVNWHCVWDRNXAZ-MLCLTIQSSA-N
InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m1./s1
Molecular Formula | C16H19ClN2O |
Molecular Weight | 290.788 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:55:57 GMT 2023
by
admin
on
Sat Dec 16 01:55:57 GMT 2023
|
Record UNII |
9FFL1JRS90
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Record Status |
Validated (UNII)
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Record Version |
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-
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1078131-58-4
Created by
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9FFL1JRS90
Created by
admin on Sat Dec 16 01:55:57 GMT 2023 , Edited by admin on Sat Dec 16 01:55:57 GMT 2023
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24884235
Created by
admin on Sat Dec 16 01:55:57 GMT 2023 , Edited by admin on Sat Dec 16 01:55:57 GMT 2023
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Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |