Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H25NO2.BrH |
Molecular Weight | 392.33 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])N2CCC4=CC(OC)=CC=C34
InChI
InChIKey=DIEDGWQBMYEFLT-UAQIFXDFSA-N
InChI=1S/C20H25NO2.BrH/c1-4-20(22)11-8-18-19(20,2)10-7-17-16-6-5-15(23-3)13-14(16)9-12-21(17)18;/h1,5-6,13,17-18,22H,7-12H2,2-3H3;1H/t17-,18-,19+,20+;/m1./s1
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 | C20H25NO2 |
Molecular Weight | 311.418 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/5691452
Curator's Comment: refernce retrieved from https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:10:59 GMT 2023
by
admin
on
Fri Dec 15 16:10:59 GMT 2023
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Record UNII |
P1NC244SOF
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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 |
C1821
Created by
admin on Fri Dec 15 16:10:59 GMT 2023 , Edited by admin on Fri Dec 15 16:10:59 GMT 2023
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C74403
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CHEMBL2110830
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admin on Fri Dec 15 16:10:59 GMT 2023 , Edited by admin on Fri Dec 15 16:10:59 GMT 2023
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P1NC244SOF
Created by
admin on Fri Dec 15 16:10:59 GMT 2023 , Edited by admin on Fri Dec 15 16:10:59 GMT 2023
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15179-97-2
Created by
admin on Fri Dec 15 16:10:59 GMT 2023 , Edited by admin on Fri Dec 15 16:10:59 GMT 2023
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20055480
Created by
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DTXSID90934345
Created by
admin on Fri Dec 15 16:10:59 GMT 2023 , Edited by admin on Fri Dec 15 16:10:59 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |