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Substance Name: 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(benzylisopropylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, citrate
RN: 37855-77-9
InChIKey: FJDRGKRCWPKODU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-O6.C6-H8-O7

Molecular Weight

  • 629.612
 
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Names and Synonyms

Synonyms

  • 9-(3-Benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methylfuro(3,2-g)chromone citrate
  • Furo(3,2-g)chromone,9-(3-benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methyl-,citrate

Systematic Name

  • 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(benzylisopropylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, citrate

Registry Numbers

CAS Registry Number

  • 37855-77-9

System Generated Number

  • 0037855779

Molecular Formulas

Molecular Formula

  • C25-H27-N-O6.C6-H8-O7

Molecular Formula Fragments

  • C25-H27-N-O6
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NO6.C6H8O7/c1-15(2)26(12-17-7-5-4-6-8-17)13-18(27)14-31-25-23-19(11-16(3)32-23)22(29)21-20(28)9-10-30-24(21)25;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,15,18,27-28H,12-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

FJDRGKRCWPKODU-UHFFFAOYSA-N

Smiles

c12c(c3c(c(c1cc(o2)C)=O)c(cco3)O)OC[C@@H](C[N@@H+](C(C)C)Cc1ccccc1)O.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 488mg/kg (488mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.
mouse LD50 intravenous 49mg/kg (49mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.
mouse LD50 oral 1550mg/kg (1550mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.