(5α)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride hydrate

ChemSpider ID: 4514430
Molecular Formula: C₁₈H₂₄ClNO₄
Monoisotopic mass: 353.139374 Da
Systematic name

(5α)-3-Methoxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride hydrate
SMILES and InChIs

SMILES:

Cl.O=C4[C@@H]5Oc1c2c(ccc1OC)C[C@H]3N(CC[C@]25[C@H]3CC4)C.O Copied

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,4-5,7-9H2,1-2H3;1H;1H2/t11-,12+,17-,18-;;/m0../s1 Copied

Std. InChIKey:

LJJZQRHEDPNUDZ-RLWSFTDUSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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