Details
Stereochemistry | MIXED |
Molecular Formula | C22H32NO3.Br |
Molecular Weight | 438.398 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(C3CCCCC3)C4=CC=CC=C4
InChI
InChIKey=RBKLLGUTSKKRLX-UHFFFAOYSA-M
InChI=1S/C22H32NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1
Molecular Formula | C22H31NO3 |
Molecular Weight | 357.4864 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 16:27:27 GMT 2023
by
admin
on
Fri Dec 15 16:27:27 GMT 2023
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Record UNII |
Z4OYQ8EJO8
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66880
Created by
admin on Fri Dec 15 16:27:27 GMT 2023 , Edited by admin on Fri Dec 15 16:27:27 GMT 2023
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100000080820
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SUB06403MIG
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29125-56-2
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71922
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Z4OYQ8EJO8
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3743
Created by
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CHEMBL2110832
Created by
admin on Fri Dec 15 16:27:27 GMT 2023 , Edited by admin on Fri Dec 15 16:27:27 GMT 2023
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C65483
Created by
admin on Fri Dec 15 16:27:27 GMT 2023 , Edited by admin on Fri Dec 15 16:27:27 GMT 2023
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DTXSID00951725
Created by
admin on Fri Dec 15 16:27:27 GMT 2023 , Edited by admin on Fri Dec 15 16:27:27 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |