Details
Stereochemistry | RACEMIC |
Molecular Formula | C12H18Cl2N2O.ClH |
Molecular Weight | 313.651 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
InChI
InChIKey=OPXKTCUYRHXSBK-UHFFFAOYSA-N
InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
Molecular Formula | C12H18Cl2N2O |
Molecular Weight | 277.19 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:50 UTC 2023
by
admin
on
Fri Dec 15 15:55:50 UTC 2023
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Record UNII |
GOR5747GWU
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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 |
C48149
Created by
admin on Fri Dec 15 15:55:50 UTC 2023 , Edited by admin on Fri Dec 15 15:55:50 UTC 2023
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235955
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100000090108
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SUB01339MIG
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C87473
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DTXSID60944496
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GOR5747GWU
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1134674
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GOR5747GWU
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30849
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DBSALT001621
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21898-19-1
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CHEMBL49080
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244-643-7
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m3615
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31410
Created by
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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 |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |