Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H31NO3.ClH |
| Molecular Weight | 393.947 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=AEPBOUHKRSABGU-UHFFFAOYSA-N
InChI=1S/C22H31NO3.ClH/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3;1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.4864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:32:28 GMT 2025
by
admin
on
Mon Mar 31 21:32:28 GMT 2025
|
| Record UNII |
0FUM3H8670
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID50926529
Created by
admin on Mon Mar 31 21:32:28 GMT 2025 , Edited by admin on Mon Mar 31 21:32:28 GMT 2025
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0FUM3H8670
Created by
admin on Mon Mar 31 21:32:28 GMT 2025 , Edited by admin on Mon Mar 31 21:32:28 GMT 2025
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154339
Created by
admin on Mon Mar 31 21:32:28 GMT 2025 , Edited by admin on Mon Mar 31 21:32:28 GMT 2025
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129927-37-3
Created by
admin on Mon Mar 31 21:32:28 GMT 2025 , Edited by admin on Mon Mar 31 21:32:28 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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