Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H26N2.C4H4O4 |
Molecular Weight | 410.506 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(CN(C)C)CN1C2=C(CCC3=C1C=CC=C3)C=CC=C2
InChI
InChIKey=YDGHCKHAXOUQOS-BTJKTKAUSA-N
InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;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 | C20H26N2 |
Molecular Weight | 294.4338 |
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 19:09:46 UTC 2023
by
admin
on
Fri Dec 15 19:09:46 UTC 2023
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Record UNII |
269K6498LD
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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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NCI_THESAURUS |
C94727
Created by
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Code System | Code | Type | Description | ||
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DTXSID2045315
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208-318-3
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1692709
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20230-75-5
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NON-SPECIFIC STOICHIOMETRY | |||
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269K6498LD
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m11164
Created by
admin on Fri Dec 15 19:09:46 UTC 2023 , Edited by admin on Fri Dec 15 19:09:46 UTC 2023
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PRIMARY | Merck Index | ||
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35030
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SUB04977MIG
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71532
Created by
admin on Fri Dec 15 19:09:46 UTC 2023 , Edited by admin on Fri Dec 15 19:09:46 UTC 2023
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PRIMARY | RxNorm | ||
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DBSALT000969
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CHEMBL644
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758386
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1217260-65-5
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NON-SPECIFIC STEREOCHEMISTRY | |||
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100000084667
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521-78-8
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C47773
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269K6498LD
Created by
admin on Fri Dec 15 19:09:46 UTC 2023 , Edited by admin on Fri Dec 15 19:09:46 UTC 2023
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5282318
Created by
admin on Fri Dec 15 19:09:46 UTC 2023 , Edited by admin on Fri Dec 15 19:09:46 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
EP
|
||
|
BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
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||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
UNSPECIFIED
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |