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Substance Name: Benz(f)isoindoline, 2-ethyl-, citrate
RN: 100447-49-2
InChIKey: VJCTVQVKHVLAPD-UHFFFAOYSA-N

Molecular Formula

  • C14-H15-N.C6-H8-O7

Molecular Weight

  • 389.4017
 
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Names and Synonyms

Synonym

  • 2-Ethyl benz(f)isoindoline citrate

Systematic Name

  • Benz(f)isoindoline, 2-ethyl-, citrate

Registry Numbers

CAS Registry Number

  • 100447-49-2

System Generated Number

  • 0100447492

Molecular Formulas

Molecular Formula

  • C14-H15-N.C6-H8-O7

Molecular Formula Fragments

  • C14-H15-N
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H15N.C6H8O7/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,2,9-10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

VJCTVQVKHVLAPD-UHFFFAOYSA-N

Smiles

CCN1Cc2cc3ccccc3cc2C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00057,