Chemical Properties of Cacotheline

Cacotheline

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InChI
InChI=1S/C20H21N3O7/c24-11-4-10-16(17(18(11)27)23(28)29)21-19-15-9-3-13-20(10,19)1-2-22(13)6-8(9)7-30-12(15)5-14(25)26/h4,8-9,12-13,15,19,21H,1-3,5-7H2,(H,25,26)
InChI Key
DLCUVFAXVOWNOS-UHFFFAOYSA-N
Formula
C20H21N3O7
SMILES
O=C(O)CC1OCC2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35
Molecular Weight1
415.40
Sources

Physical Properties

Property Value Unit Source
logPoct/wat -0.28 Crippen Calculated Property

Similar Compounds

Cyanocobalamin. Brucine. Ergocristin. AJMALINE, M(NOR-), AC. Thebaine. Nalmefene, bis(trifluoroacetate). Strychnine. Chlortetracycline hydrochloride. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. 3-O,6-O,N-Triacetylnormorphine. Naloxone, bis(trimethylsilyl) ether. Tetracycline hydrochloride. Heptafluorobutyryl-codeine. ERGOTAMINE. Etorphine.

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