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7,8-Didehydronaltrexone

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For Research Use Only | Not For Clinical Use
CATAPS123086680
CAS123086-68-0
Structure
Synonyms(5α)-17-(Cyclopropylmethyl)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one
IUPAC Name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Weight339.38
Molecular FormulaC20H21NO4
Canonical SMILESOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)C=C[C@@]36O
InChIInChI=1S/C20H21NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-6,11,15,18,22,24H,1-2,7-10H2/t15-,18+,19+,20-/m1/s1
Accurate Mass339.1471
FormatNeat
SubcategoryChiral molecules, Analgesics, Opiates
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