Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H19ClN2O.C4H4O4 |
Molecular Weight | 406.86 |
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)CCOC(C1=CC=C(Cl)C=C1)C2=CC=CC=N2
InChI
InChIKey=GVNWHCVWDRNXAZ-BTJKTKAUSA-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-
Molecular Formula | C16H19ClN2O |
Molecular Weight | 290.788 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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
Fri Dec 15 15:03:43 UTC 2023
by
admin
on
Fri Dec 15 15:03:43 UTC 2023
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Record UNII |
02O55696WH
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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 |
C29578
Created by
admin on Fri Dec 15 15:03:43 UTC 2023 , Edited by admin on Fri Dec 15 15:03:43 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT000963
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5282409
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C47432
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SUB01044MIG
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DTXSID0047828
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02O55696WH
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m3070
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admin on Fri Dec 15 15:03:43 UTC 2023 , Edited by admin on Fri Dec 15 15:03:43 UTC 2023
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PRIMARY | Merck Index | ||
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62362
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C004649
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3505-38-2
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02O55696WH
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1096000
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222-498-0
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91066
Created by
admin on Fri Dec 15 15:03:43 UTC 2023 , Edited by admin on Fri Dec 15 15:03:43 UTC 2023
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PRIMARY | RxNorm | ||
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100000092119
Created by
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CHEMBL864
Created by
admin on Fri Dec 15 15:03:43 UTC 2023 , Edited by admin on Fri Dec 15 15:03:43 UTC 2023
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Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE |
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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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |