Methylnaltrexone
CAS Registry Number®
83387-25-1
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CAS Name
MethylnaltrexoneMolecular Formula
C21H26NO4Cite this Page
Methylnaltrexone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=83387-25-1 (retrieved ) (CAS RN: 83387-25-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=JVLBPIPGETUEET-GAAHOAFPSA-O
SMILES
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(O)C=CC5C[C@]2([N+](CC6CC6)(C)CC4)[H]
Canonical SMILES
O=C1CCC2(O)C3CC4=CC=C(O)C=5OC1C2(C54)CC[N+]3(C)CC6CC6
Other Names for this Substance
- Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-, (5α)-
- (5α)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxomorphinanium
- N-Methylnaltrexone
- Methylnaltrexonium
- Methylnaltrexone
Deleted or Replaced CAS Registry Numbers
1356447-13-6
