Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H22N2S.BrH.H2O |
Molecular Weight | 397.373 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Br.CC1=CC(C)=C(SC2=CC=CC=C2N3CCNCC3)C=C1
InChI
InChIKey=ZGAAGEFQXXKYKG-UHFFFAOYSA-N
InChI=1S/C18H22N2S.BrH.H2O/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;;/h3-8,13,19H,9-12H2,1-2H3;1H;1H2
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 | BrH |
Molecular Weight | 80.912 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H22N2S |
Molecular Weight | 298.446 |
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
Sat Dec 16 15:19:45 UTC 2023
by
admin
on
Sat Dec 16 15:19:45 UTC 2023
|
Record UNII |
WB6PRJ7E41
|
Record Status |
Validated (UNII)
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Record Version |
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-
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WB6PRJ7E41
Created by
admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
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140688341
Created by
admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
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1579996-40-9
Created by
admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |