Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.4281 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(C(=O)OCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=RZWPJFMNFATBEG-UHFFFAOYSA-N
InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.4281 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://chem.nlm.nih.gov/chemidplus/rn/4546-39-8
mouse LD50 intravenous 38mg/kg (38mg/kg)
mouse LD50 oral 510mg/kg (510mg/kg)
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:57:34 GMT 2025
by
admin
on
Mon Mar 31 17:57:34 GMT 2025
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| Record UNII |
P32MG14U83
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| Record Status |
Validated (UNII)
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NCI_THESAURUS |
C66880
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DTXSID2023484
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4546-39-8
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930
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C005567
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SUB09874MIG
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m8853
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P32MG14U83
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C66398
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100000082194
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20674
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CHEMBL1722893
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2191
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |