Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H23N2OS.Br |
Molecular Weight | 419.378 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].CC(C(=O)N1C2=CC=CC=C2SC3=C1C=CC=C3)[N+]4(C)CCCC4
InChI
InChIKey=OANVFVBYPNXRLD-UHFFFAOYSA-M
InChI=1S/C20H23N2OS.BrH/c1-15(22(2)13-7-8-14-22)20(23)21-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)21;/h3-6,9-12,15H,7-8,13-14H2,1-2H3;1H/q+1;/p-1
Molecular Formula | C20H23N2OS |
Molecular Weight | 339.474 |
Charge | 1 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:36:48 UTC 2023
by
admin
on
Fri Dec 15 16:36:48 UTC 2023
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Record UNII |
G69033J83V
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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 |
C66880
Created by
admin on Fri Dec 15 16:36:48 UTC 2023 , Edited by admin on Fri Dec 15 16:36:48 UTC 2023
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1259
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CHEMBL2110708
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SUB10126MIG
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100000080829
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205-657-9
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145-54-0
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C73135
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169416
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G69033J83V
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m439
Created by
admin on Fri Dec 15 16:36:48 UTC 2023 , Edited by admin on Fri Dec 15 16:36:48 UTC 2023
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PRIMARY | Merck Index | ||
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71493
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145672
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33417
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |