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Substance Name: Ethanaminium, 2-((2,7-bis((3-(dibutylamino)propoxy)carbonyl)-9H-fluoren-9-ylidene)hydrazino)-N,N,N-trimethyl-2-oxo-, chloride, hydrochloride, hydrate (4:8:3)
RN: 41568-88-1
InChIKey: NRGCFGJOLQCXOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H66-N5-O5.Cl.2Cl-H.3/4H2-O

Molecular Weight

  • 829.3882
 
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Names and Synonyms

  • Ethanaminium, 2-((2,7-bis((3-(dibutylamino)propoxy)carbonyl)-9H-fluoren-9-ylidene)hydrazino)-N,N,N-trimethyl-2-oxo-, chloride, hydrochloride, hydrate (4:8:3)

Registry Numbers

CAS Registry Number

  • 41568-88-1

System Generated Number

  • 0041568881

Molecular Formulas

Molecular Formula

  • C42-H66-N5-O5.Cl.2Cl-H.3/4H2-O

Molecular Formula Fragments

  • C42-H66-N5-O5
  • Cl
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C42H65N5O5.3ClH/c1-8-12-22-45(23-13-9-2)26-16-28-51-41(49)33-18-20-35-36-21-19-34(42(50)52-29-17-27-46(24-14-10-3)25-15-11-4)31-38(36)40(37(35)30-33)44-43-39(48)32-47(5,6)7;;;/h18-21,30-31H,8-17,22-29,32H2,1-7H3;3*1H

InChIKey

NRGCFGJOLQCXOX-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCCOC(=O)c1ccc-2c(c1)C(=NNC(=O)C[N+](C)(C)C)c3c2ccc(c3)C(=O)OCCCN(CCCC)CCCC.Cl.Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 240, 1973.