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Search term: LJJZQRHEDPNUDZ
Found by InChIKey (skeleton match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 4514430
Empirical Formula: C18H24ClNO4
Molecular Weight: 353.8405
Nominal Mass: 353 Da
Average Mass: 353.8405 Da
Monoisotopic Mass: 353.139386 Da
Systematic Name: (5alpha)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one hydrochlori​de hydrate
SMILES: Cl.O=C4[C@@H]5Oc1c2c(ccc1OC)C[C@H]3N(CC[C@]25[C@H]3CC4)C.O Copy
InChI: InChI=1/C18H21NO3.ClH.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-1​4(21-2)6-3-10(15(16)18)9-12(11)19;;/h3,6,11-12,17H,4-5,7-9H2,1-2H​3;1H;1H2/t11-,12+,17-,18-;;/m0../s1 Copy
InChIKey: LJJZQRHEDPNUDZ-RLWSFTDUBW
Std. InChI: InChI=1S/C18H21NO3.ClH.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-​14(21-2)6-3-10(15(16)18)9-12(11)19;;/h3,6,11-12,17H,4-5,7-9H2,1-2​H3;1H;1H2/t11-,12+,17-,18-;;/m0../s1 Copy
Std. InChIKey: LJJZQRHEDPNUDZ-RLWSFTDUSA-N
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