Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H19BrN2.C4H4O4 |
Molecular Weight | 435.312 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CCC(C1=CC=C(Br)C=C1)C2=CC=CC=N2
InChI
InChIKey=SRGKFVAASLQVBO-BTJKTKAUSA-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-
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 | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:21:05 UTC 2023
by
admin
on
Fri Dec 15 17:21:05 UTC 2023
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Record UNII |
IXA7C9ZN03
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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CFR |
21 CFR 341.12
Created by
admin on Fri Dec 15 17:21:05 UTC 2023 , Edited by admin on Fri Dec 15 17:21:05 UTC 2023
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NCI_THESAURUS |
C29578
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admin on Fri Dec 15 17:21:05 UTC 2023 , Edited by admin on Fri Dec 15 17:21:05 UTC 2023
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IXA7C9ZN03
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3184
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C47422
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IXA7C9ZN03
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5281067
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213-562-9
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2664-17-7
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NON-SPECIFIC STOICHIOMETRY | |||
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SUB00881MIG
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980-71-2
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DTXSID2052657
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142427
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admin on Fri Dec 15 17:21:05 UTC 2023 , Edited by admin on Fri Dec 15 17:21:05 UTC 2023
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100000088205
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1078008
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CHEMBL811
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758652
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m2723
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admin on Fri Dec 15 17:21:05 UTC 2023 , Edited by admin on Fri Dec 15 17:21:05 UTC 2023
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DBSALT000940
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admin on Fri Dec 15 17:21:05 UTC 2023 , Edited by admin on Fri Dec 15 17:21:05 UTC 2023
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Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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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 |