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Methylnaltrexone
[CAS# 83387-25-1]

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CAS#: 83387-25-1
Product: Methylnaltrexone
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Identification
Name Methylnaltrexone
Synonyms 17-(Cyclopropylmethyl)-4,5Alpha-Epoxy-3,14-Dihydroxy-17-Methyl-6-Oxomorphinanium; Methylnaltrexone; Methylnaltrexonium
Molecular Structure CAS#: 83387-25-1, Methylnaltrexone
Molecular Formula C21H26NO4
Molecular Weight 356.44
CAS Registry Number 83387-25-1
SMILES [C@@H]15CC4=C3[C@@]2([C@]1(CCC(=O)[C@@H]2OC3=C(C=C4)O)O)CC[N+]5(CC6CC6)C
InChI 1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
InChIKey JVLBPIPGETUEET-GAAHOAFPSA-O
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