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Substance Name: O,O'-Di(4-bromobenzoyl)apomorphine
RN: 99640-31-0
InChIKey: CWWXHNHNJHBKQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H23-Br2-N-O4

Molecular Weight

  • 633.334
 
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Names and Synonyms

Results Name

  • O,O'-Di(4-bromobenzoyl)apomorphine

Synonyms

  • 4-Bromobenzoic acid 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester
  • 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, bis(p-bromobenzoate)
  • O,O'-Di(4-bromobenzoyl)apomorphine

Systematic Name

  • Benzoic acid, 4-bromo-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester

Registry Numbers

CAS Registry Number

  • 99640-31-0

System Generated Number

  • 0099640310

Structure Descriptors

InChI

1S/C31H23Br2NO4/c1-34-16-15-18-3-2-4-24-27(18)25(34)17-21-9-14-26(37-30(35)19-5-10-22(32)11-6-19)29(28(21)24)38-31(36)20-7-12-23(33)13-8-20/h2-14,25H,15-17H2,1H3

InChIKey

CWWXHNHNJHBKQY-UHFFFAOYSA-N

Smiles

c12c3c4[C@@H]([N@@](CCc4ccc3)C)Cc2ccc(c1OC(c1ccc(Br)cc1)=O)OC(c1ccc(Br)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2911ug/kg (2.911mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 683, 1985.