trans-Morphine hydrochloride

ChemSpider ID: 4591292
Molecular Formula: C₁₇H₂₀ClNO₃
Monoisotopic mass: 321.113159 Da
Systematic name

(5α,6β,14α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.O[C@@H]2\C=C/[C@@H]5[C@@H]4N(CC[C@@]51c3c(O[C@H]12)c(O)ccc3C4)C Copied

Std. InChI:

InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11-,13-,16+,17+;/m1./s1 Copied

Std. InChIKey:

XCKKIKBIPZJUET-SHFALZIZSA-N Copied

Names and Identifiers

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

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library