(5Alpha,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium Bromide

(5Alpha,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium Bromide

• Synonyms: Morphinanium, 3-(acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxo-, bromide (1:1), (5α,17S)-; (17S)-3-O-Acetyl-17-N-methylnaltrexone bromide; (S)-3-O-Acetylnaltrexone methobromide; (S)-3-O-Acetylnaltrexone methyl bromide; (5α,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium bromide
• CAS Number: 1252784-80-7
• Hazard Statement: Harmful if swallowed; UN number: UN3077; Packing Group: III
• Smiles: [Br-].CC(=O)Oc1ccc2C[C@@H]3[C@]4(O)CCC(=O)[C@@H]5Oc1c2[C@]45CC[N@@+]3(C)CC6CC6
• Molecular Formula: C23 H28 N O5 . Br
• Molecular Weight: 478.38
• InChI: InChI=1S/C23H28NO5.BrH/c1-13(25)28-17-6-5-15-11-18-23(27)8-7-16(26)21-22(23,19(15)20(17)29-21)9-10-24(18,2)12-14-3-4-14;/h5-6,14,18,21,27H,3-4,7-12H2,1-2H3;1H/q+1;/p-1/t18-,21+,22+,23-,24+;/m1./s1
• Additionnal Information: IUPAC name: [(3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-9-yl] acetate;bromide
• Shipping Conditions: Room Temperature
• Storage Conditions: +20°C