(5a,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium Bromide
Product Code
TRC-A190305
CAS Number
Product Format
Neat
Molecular Formula
C23 H28 N O5 . Br
Molecular Weight
478.38
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
(17S)-3-O-Acetyl-17-N-methylnaltrexone Bromide
CAS Number
1252784-80-7
Molecular Formula
C23 H28 N O5 . Br
Molecular Weight
478.38
Accurate Mass
477.1151
SMILES
[Br-].CC(=O)Oc1ccc2C[C@@H]3[C@]4(O)CCC(=O)[C@@H]5Oc1c2[C@]45CC[N@@+]3(C)CC6CC6
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
IUPAC
[(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
Product Data
Storage Temperature
+20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat