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Substance Name: O,O'-Di(4-methylbenzoyl)apomorphine
RN: 99640-33-2
InChIKey: MPXVMWCGUBXTFN-HHHXNRCGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H29-N-O4

Molecular Weight

  • 503.5951
 
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Names and Synonyms

Results Name

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

Synonyms

  • 4-Methylbenzoic 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-methylbenzoate)
  • O,O'-Di(4-methylbenzoyl)apomorphine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 99640-33-2

System Generated Number

  • 0099640332

Structure Descriptors

InChI

1S/C33H29NO4/c1-20-7-11-23(12-8-20)32(35)37-28-16-15-25-19-27-29-22(17-18-34(27)3)5-4-6-26(29)30(25)31(28)38-33(36)24-13-9-21(2)10-14-24/h4-16,27H,17-19H2,1-3H3/t27-/m1/s1

InChIKey

MPXVMWCGUBXTFN-HHHXNRCGSA-N

Smiles

Cc1ccc(cc1)C(=O)Oc2ccc3c(c2OC(=O)c4ccc(cc4)C)-c5cccc6c5[C@@H](C3)N(CC6)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2314ug/kg (2.314mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 683, 1985.