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Substance Name: 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-, morpholinoethyl ester, hydrochloride
RN: 73713-72-1
InChIKey: IJWNLGDHZFECJX-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-N2-O7.Cl-H

Molecular Weight

  • 384.77
 
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Names and Synonyms

Synonym

  • 6-Nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid morpholinoethyl ester hydrochloride

Systematic Name

  • 2H-1-Benzopyran-3-carboxylic acid, 6-nitro-2-oxo-, morpholinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 73713-72-1

System Generated Number

  • 0073713721

Molecular Formulas

Molecular Formula

  • C16-H16-N2-O7.Cl-H

Molecular Formula Fragments

  • C16-H16-N2-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16N2O7.ClH/c19-15(24-8-5-17-3-6-23-7-4-17)13-10-11-9-12(18(21)22)1-2-14(11)25-16(13)20;/h1-2,9-10H,3-8H2;1H

InChIKey

IJWNLGDHZFECJX-UHFFFAOYSA-N

Smiles

c12c(oc(=O)c(c1)C(OCC[NH+]1CCOCC1)=O)ccc(c2)[N+](=O)[O-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00311,