Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H19BrN2.C4H4O4 |
Molecular Weight | 435.312 |
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(Br)C=C1)C2=CC=CC=N2
InChI
InChIKey=SRGKFVAASLQVBO-HFNHQGOYSA-N
InChI=1S/C16H19BrN2.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-;/m1./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 | C16H19BrN2 |
Molecular Weight | 319.239 |
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 01:54:23 GMT 2023
by
admin
on
Sat Dec 16 01:54:23 GMT 2023
|
Record UNII |
7K632I2FGH
|
Record Status |
Validated (UNII)
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Record Version |
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-
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102282-22-4
Created by
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52949763
Created by
admin on Sat Dec 16 01:54:23 GMT 2023 , Edited by admin on Sat Dec 16 01:54:23 GMT 2023
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7K632I2FGH
Created by
admin on Sat Dec 16 01:54:23 GMT 2023 , Edited by admin on Sat Dec 16 01:54:23 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |