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Substance Name: Codeine methyl bromide
RN: 125-27-9
UNII: 25007U9T7H
InChIKey: KIKLDWULAZATJG-YZZSNFJZSA-M

Molecular Formula

  • C19-H24-N-O3.Br

Molecular Weight

  • 394.3066
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • DEA Schedule I
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Names and Synonyms

Results Name

  • Codeine methyl bromide

Name of Substance

  • Codeine methyl bromide

Synonyms

  • Codeine bromomethylate
  • Codeine methylbromide
  • Eucodin
  • UNII-25007U9T7H

Systematic Name

  • Morphinanium, 7,8-didehydro-17,17-dimethyl-4,5-alpha-epoxy-6-alpha-hydroxy-3-methoxy-, bromide

Superlist Names

  • Codeine methylbromide
  • DEA No. 9070

Registry Numbers

CAS Registry Number

  • 125-27-9

FDA UNII

  • 25007U9T7H

System Generated Number

  • 0000125279

Molecular Formulas

Molecular Formula

  • C19-H24-N-O3.Br

Molecular Formula Fragments

  • Br
  • C19-H24-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24NO3.BrH/c1-20(2)9-8-19-12-5-6-14(21)18(19)23-17-15(22-3)7-4-11(16(17)19)10-13(12)20;/h4-7,12-14,18,21H,8-10H2,1-3H3;1H/q+1;/p-1/t12-,13+,14-,18-,19-;/m0./s1

InChIKey

KIKLDWULAZATJG-YZZSNFJZSA-M

Smiles

[Br-].COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 55mg/kg (55mg/kg)   Therapie. Vol. 7, Pg. 21, 1952.
mouse LD50 subcutaneous 365mg/kg (365mg/kg)   Therapie. Vol. 7, Pg. 21, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 260 deg C   EXP
log P (octanol-water) -1.700 (none)   EST
Water Solubility 2.60E+05 mg/L   EXP
Atmospheric OH Rate Constant 1.62E-10 cm3/molecule-sec 25 EST

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