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Substance Name: 1-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-1-(4-fluorophenyl)-
RN: 70070-05-2
InChIKey: ZAASVWIUIKIHOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F-N-O4

Molecular Weight

  • 401.475
 
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Names and Synonyms

Synonyms

  • 1-(N-Methyl-N-(p-fluorobenzoylpropyl))aminomethyl-6,7-dimethoxyisochroman
  • BRN 1403811

Systematic Name

  • 1-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-1-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 70070-05-2

System Generated Number

  • 0070070052

Structure Descriptors

InChI

1S/C23H28FNO4/c1-15(25-11-4-5-20(26)16-6-8-18(24)9-7-16)23-19-14-22(28-3)21(27-2)13-17(19)10-12-29-23/h6-9,13-15,23,25H,4-5,10-12H2,1-3H3

InChIKey

ZAASVWIUIKIHOG-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)CCO[C@@H]1[C@@H](NCCCC(c1ccc(F)cc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 16, Pg. 793, 1978.