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.COC1=CC2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)N3CC2
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 | C20H25NO2 |
| Molecular Weight | 311.418 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| 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 |
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
Mon Mar 31 18:21:05 GMT 2025
by
admin
on
Mon Mar 31 18:21:05 GMT 2025
|
| Record UNII |
P1NC244SOF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1821
Created by
admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
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| Code System | Code | Type | Description | ||
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C74403
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CHEMBL2110830
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P1NC244SOF
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15179-97-2
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20055480
Created by
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300000055476
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DTXSID90934345
Created by
admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
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PRIMARY |
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