Details
Stereochemistry | ACHIRAL |
Molecular Formula | C16H17BrN2.2ClH.H2O |
Molecular Weight | 408.161 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.CN(C)C\C=C(\C1=CC=C(Br)C=C1)C2=CN=CC=C2
InChI
InChIKey=WFUAVXYXJOQWAZ-GVKRCPFFSA-N
InChI=1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9-;;;
Molecular Formula | C16H17BrN2 |
Molecular Weight | 317.224 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 15:23:42 UTC 2023
by
admin
on
Fri Dec 15 15:23:42 UTC 2023
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Record UNII |
2T97D1P85R
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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 |
C94725
Created by
admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID7045815
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100000087904
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O-57
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61129-30-4
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SUB05168MIG
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6420041
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C152955
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DBSALT002851
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2T97D1P85R
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CHEMBL37744
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m11595
Created by
admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |