Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H20N2.C4H4O4 |
Molecular Weight | 356.4156 |
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=CC=C1)C2=CC=CC=N2
InChI
InChIKey=SSOXZAQUVINQSA-BTJKTKAUSA-N
InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;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 | C16H20N2 |
Molecular Weight | 240.3434 |
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 15:13:39 UTC 2023
by
admin
on
Fri Dec 15 15:13:39 UTC 2023
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Record UNII |
NYW905655B
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 15:13:39 UTC 2023 , Edited by admin on Fri Dec 15 15:13:39 UTC 2023
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CFR |
21 CFR 341.12
Created by
admin on Fri Dec 15 15:13:39 UTC 2023 , Edited by admin on Fri Dec 15 15:13:39 UTC 2023
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Code System | Code | Type | Description | ||
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m8619
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PRIMARY | Merck Index | ||
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132-20-7
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DBSALT001440
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DTXSID0025866
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205-051-4
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NYW905655B
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266959
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1522301
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155683-11-7
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NYW905655B
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SUB03747MIG
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C29358
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100000090467
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757270
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CHEMBL1193
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5282139
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PRIMARY |
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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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |