Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H24NO3.Br |
| Molecular Weight | 406.313 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=GXDDWKSWODZCSV-UHFFFAOYSA-M
InChI=1S/C20H24NO3.BrH/c1-21(2)14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18,23H,13-15H2,1-2H3;1H/q+1;/p-1
| 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 | C20H23NO3 |
| Molecular Weight | 325.4015 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:10:18 GMT 2023
by
admin
on
Fri Dec 15 16:10:18 GMT 2023
|
| Record UNII |
G4449OF7S3
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29704
Created by
admin on Fri Dec 15 16:10:18 GMT 2023 , Edited by admin on Fri Dec 15 16:10:18 GMT 2023
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| Code System | Code | Type | Description | ||
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G4449OF7S3
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DTXSID00929606
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100000086370
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1035
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SUB05761MIG
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C78063
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71860
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13696-15-6
Created by
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CHEMBL2110903
Created by
admin on Fri Dec 15 16:10:18 GMT 2023 , Edited by admin on Fri Dec 15 16:10:18 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |