Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.4864 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=BWTHWMSRTKTAFC-UHFFFAOYSA-N
InChI=1S/C22H31NO3/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
| 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 21:24:44 GMT 2025
by
admin
on
Mon Mar 31 21:24:44 GMT 2025
|
| Record UNII |
3FR9R1IKCO
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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146205-91-6
Created by
admin on Mon Mar 31 21:24:44 GMT 2025 , Edited by admin on Mon Mar 31 21:24:44 GMT 2025
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PRIMARY | |||
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154340
Created by
admin on Mon Mar 31 21:24:44 GMT 2025 , Edited by admin on Mon Mar 31 21:24:44 GMT 2025
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PRIMARY | |||
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3FR9R1IKCO
Created by
admin on Mon Mar 31 21:24:44 GMT 2025 , Edited by admin on Mon Mar 31 21:24:44 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
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