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Substance Name: Azipranone
RN: 58322-91-1
InChIKey: FFZKRGXDTUMAOX-DUQFDOSRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N3-O3.2Cl-H

Molecular Weight

  • 458.427
 
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Names and Synonyms

Name of Substance

  • Azipranone

Systematic Names

  • 1,2,3,4,4a,9b-Hexahydro-8,9b-dimethyl-4-(3-(4-methyl-piperazin-1-yl)propionamido)dibenzofuran-3-one
  • 1-Piperazinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-4-methyl-, dihydrochloride, (4-alpha,4a-beta,9b-beta)-

Registry Numbers

CAS Registry Number

  • 58322-91-1

System Generated Number

  • 0058322911

Molecular Formulas

Molecular Formula

  • C22-H31-N3-O3.2Cl-H

Molecular Formula Fragments

  • C22-H31-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31N3O3.2ClH/c1-15-4-5-18-16(14-15)22(2)8-6-17(26)20(21(22)28-18)23-19(27)7-9-25-12-10-24(3)11-13-25;;/h4-5,14,20-21H,6-13H2,1-3H3,(H,23,27);2*1H/t20-,21-,22-;;/m0../s1

InChIKey

FFZKRGXDTUMAOX-DUQFDOSRSA-N

Smiles

N1(CCN(C)CC1)CCC(=O)N[C@H]1C(CC[C@@]2([C@H]1Oc1c2cc(cc1)C)C)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1475mg/kg (1475mg/kg)   United States Patent Document. Vol. #4010268,