Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H25NO3.ClH |
Molecular Weight | 375.889 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC(C(=O)OCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=ZJVKLBBPLUXEAC-UHFFFAOYSA-N
InChI=1S/C21H25NO3.ClH/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;1H
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:
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NCI_THESAURUS |
C66880
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CHEMBL1722893
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ACTIVE MOIETY
SUBSTANCE RECORD