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Substance Name: Bromocodeine
RN: 49751-17-9
InChIKey: DWDDALBPKRAHTN-GLWLLPOHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-Br-N-O3

Molecular Weight

  • 364.237
 
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Names and Synonyms

Results Name

  • Bromocodeine

Synonyms

  • 2-27-00-00170 (Beilstein Handbook Reference)
  • BRN 6118169
  • Bromocodeine
  • Codeine, bromo-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49751-17-9

System Generated Number

  • 0049751179

Structure Descriptors

InChI

1S/C17H18BrNO3/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/h2-3,7,9,11-12,16,20-21H,4-6H2,1H3/t9-,11+,12-,16-,17-/m0/s1

InChIKey

DWDDALBPKRAHTN-GLWLLPOHSA-N

Smiles

c1(c2c3[C@@]45[C@@H](O2)[C@@H](O)C=C[C@H]4[C@@H](Cc3c(c1)Br)[N@](CC5)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 20mg/kg (20mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 30, 1938.