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Substance Name: AF 698
RN: 82958-11-0
InChIKey: PEZLCFUBKMKIJA-NMZBPYGDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-N2-O4

Molecular Weight

  • 454.523
 
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Names and Synonyms

Name of Substance

  • AF 698

Synonyms

  • AF 698
  • AP 698

Systematic Names

  • Eburnamenine-14-carboxylic acid, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, (3-alpha,16-alpha)-
  • Eburnamenine-14-carboxylic acid, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, (3alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 82958-11-0

System Generated Number

  • 0082958110

Structure Descriptors

InChI

1S/C28H26N2O4/c1-2-28-13-7-14-29-15-12-18-17-8-5-6-11-21(17)30(23(18)24(28)29)22(16-28)26(32)34-27-20-10-4-3-9-19(20)25(31)33-27/h3-6,8-11,16,24,27H,2,7,12-15H2,1H3/t24-,27?,28+/m1/s1

InChIKey

PEZLCFUBKMKIJA-NMZBPYGDSA-N

Smiles

C1(=C[C@@]2(CCC[N@@]3[C@@H]2c2c(CC3)c3c(n12)cccc3)CC)C(O[C@@H]1c2c(C(O1)=O)cccc2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 684mg/kg (684mg/kg)   United States Patent Document. Vol. #4486437,
rat LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4486437,