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Substance Name: L-Valine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1)
RN: 180179-66-2
InChIKey: GUMZDOISFUFSNI-MERQFXBCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Cl-N-O4.C4-H9-N-O

Molecular Weight

  • 394.8527
 
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Names and Synonyms

Synonym

  • N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-valine compd. with morpholine (1:1)

Systematic Name

  • L-Valine, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-, compd. with morpholine (1:1)

Registry Numbers

CAS Registry Number

  • 180179-66-2

System Generated Number

  • 0180179662

Molecular Formulas

Molecular Formula

  • C15-H14-Cl-N-O4.C4-H9-N-O

Molecular Formula Fragments

  • C15-H14-Cl-N-O4
  • C4-H9-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14ClNO4.C4H9NO/c1-7(2)11(15(20)21)17-12-10(16)13(18)8-5-3-4-6-9(8)14(12)19;1-3-6-4-2-5-1/h3-7,11,17H,1-2H3,(H,20,21);5H,1-4H2/t11-;/m0./s1

InChIKey

GUMZDOISFUFSNI-MERQFXBCSA-N

Smiles

CC(C)[C@@H](C(=O)O)NC1=C(C(=O)c2ccccc2C1=O)Cl.C1COCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 303mg/kg (303mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 82, 1996.