Samidorphan L-Malate

Molecular Weight (g/mol)

504.5

Molecular Formula

C25H32N2O9

InChI

InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);2,5H,1H2,(H,6,7)(H,8,9)/t16-,20-,21-;2-/m10/s1

InChIKey

RARHXUAUPNYAJF-QSYGGRRVSA-N

SMILES

C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O.C([C@@H](C(=O)O)O)C(=O)O

IUPAC Name

(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(2S)-2-hydroxybutanedioic acid

Exact Mass (Da)

504.2107806

Monoisotopic Mass (Da)

504.2107806