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Substance Name: 4H-1-Benzopyran-4-one, 2-(4-(3-(dibutylamino)propoxy)-3,5-dimethylbenzoyl)-3-methyl-, hydrochloride
RN: 67652-38-4
InChIKey: IQKCXRXHIZGQSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H39-N-O4.Cl-H

Molecular Weight

  • 514.102
 
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Names and Synonyms

Synonym

  • 2-(4-(3-N,N-Dibutylaminopropoxy)-3,5-dimethylbenzoyl)-3-methylchromone hydrochloride

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(4-(3-(dibutylamino)propoxy)-3,5-dimethylbenzoyl)-3-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 67652-38-4

System Generated Number

  • 0067652384

Molecular Formulas

Molecular Formula

  • C30-H39-N-O4.Cl-H

Molecular Formula Fragments

  • C30-H39-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H39NO4.ClH/c1-6-8-15-31(16-9-7-2)17-12-18-34-29-21(3)19-24(20-22(29)4)28(33)30-23(5)27(32)25-13-10-11-14-26(25)35-30;/h10-11,13-14,19-20H,6-9,12,15-18H2,1-5H3;1H

InChIKey

IQKCXRXHIZGQSM-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCCOc1c(cc(cc1C)C(=O)c2c(c(=O)c3ccccc3o2)C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 30mg/kg (30mg/kg)   United States Patent Document. Vol. #4220645,
mouse LDLo oral 1200mg/kg (1200mg/kg)   United States Patent Document. Vol. #4220645,