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Substance Name: 1-Propanone, 1,1'-(9H-xanthene-2,7-diyl)bis(3-(diethylamino)-, hydrochloride, hydrate (2:4:5)
RN: 37971-97-4
InChIKey: XEFXELDWPNCLPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N2-O3.2Cl-H.5/2H2-O

Molecular Weight

  • 509.5142
 
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Names and Synonyms

Synonym

  • 1,1'-(9H-Xanthene-2,7-diyl)bis(3-(diethylamino)-1-propanone) hydrochloride hydrate (2:4:5)

Systematic Name

  • 1-Propanone, 1,1'-(9H-xanthene-2,7-diyl)bis(3-(diethylamino)-, hydrochloride, hydrate (2:4:5)

Registry Numbers

CAS Registry Number

  • 37971-97-4

System Generated Number

  • 0037971974

Molecular Formulas

Molecular Formula

  • C27-H36-N2-O3.2Cl-H.5/2H2-O

Molecular Formula Fragments

  • C27-H36-N2-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H36N2O3.2ClH/c1-5-28(6-2)15-13-24(30)20-9-11-26-22(17-20)19-23-18-21(10-12-27(23)32-26)25(31)14-16-29(7-3)8-4;;/h9-12,17-18H,5-8,13-16,19H2,1-4H3;2*1H

InChIKey

XEFXELDWPNCLPF-UHFFFAOYSA-N

Smiles

CCN(CC)CCC(=O)c1ccc2c(c1)Cc3cc(ccc3O2)C(=O)CCN(CC)CC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1142, 1976.