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Substance Name: Bromocodeinone
RN: 63868-36-0
InChIKey: VZHSBJMGYUSHHY-ZCFJKREUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Br-N-O3

Molecular Weight

  • 362.2214
 
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Names and Synonyms

Results Name

  • Bromocodeinone

Synonyms

  • Bromocodeinone
  • Codeinone, bromo-

Systematic Name

  • Morphinan-6-one, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-3-hydroxy-17-methyl-

Registry Numbers

CAS Registry Number

  • 63868-36-0

System Generated Number

  • 0063868360

Structure Descriptors

InChI

1S/C17H16BrNO3/c1-19-5-4-17-9-2-3-12(20)16(17)22-15-13(21)7-10(18)8(14(15)17)6-11(9)19/h2-3,7,9,11,16,21H,4-6H2,1H3/t9-,11+,16-,17-/m0/s1

InChIKey

VZHSBJMGYUSHHY-ZCFJKREUSA-N

Smiles

CN1CC[C@@]23[C@H]4C=CC(=O)[C@@H]2Oc5c(O)cc(Br)c(C[C@@H]14)c35

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11787,
mouse LD50 subcutaneous 6mg/kg (6mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 31, 1938.