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Substance Name: Ethylmorphine hydrochloride dihydrate
RN: 6746-59-4
UNII: 407X3NQV4N
InChIKey: FKEDUFRSQFFLHR-VSYPDCRNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C19-H23-N-O3.Cl-H.2H2-O

Molecular Weight

  • 385.8852
 
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Names and Synonyms

Name of Substance

  • Ethylmorphine hydrochloride dihydrate

Synonyms

  • 7,8-Didehydro-4,5-alpha-epoxy-3-ethoxy-17-methylmorphinan-6-alpha-ol hydrochloride dihydrate
  • Dionin
  • Ethylmorphine HCl hydrate
  • Ethylmorphine hydrochloride dihydrate
  • UNII-407X3NQV4N

Systematic Name

  • Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-, hydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 6746-59-4

FDA UNII

  • 407X3NQV4N

System Generated Number

  • 0006746594

Molecular Formulas

Molecular Formula

  • C19-H23-N-O3.Cl-H.2H2-O

Molecular Formula Fragments

  • C19-H23-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H23NO3.ClH.2H2O/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;;;/h4-7,12-14,18,21H,3,8-10H2,1-2H3;1H;2*1H2/t12-,13+,14-,18-,19-;;;/m0.../s1

InChIKey

FKEDUFRSQFFLHR-VSYPDCRNSA-N

Smiles

O.O.Cl.CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 300mg/kg (300mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 53, 1969.
rabbit LDLo subcutaneous 550mg/kg (550mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.470 (none)   EST
Water Solubility 1.25E+05 mg/L 25 EXP
Vapor Pressure 2.08E-15 mm Hg 25 EST
Henry's Law Constant 6.35E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.83E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.