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Substance Name: Morpholine, 2-(2-(2-phenoxyphenyl)ethyl)-, (Z)-2-butenedioate (2:1)
RN: 58039-73-9
InChIKey: HEQPWSXOQAXCMH-WXXKFALUSA-N

Molecular Formula

  • C36-H42-O4.C4-H4-O4

Molecular Weight

  • 682.8094
 
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Names and Synonyms

Synonyms

  • 2-(2-(2-Phenoxyphenyl)ethyl)morpholine (Z)-2-butenedioate (2:1)
  • 2-(beta-(2-Phenoxyphenyl)ethyl)morpholine hydrogen maleate (2:1)

Systematic Name

  • Morpholine, 2-(2-(2-phenoxyphenyl)ethyl)-, (Z)-2-butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 58039-73-9

System Generated Number

  • 0058039739

Molecular Formulas

Molecular Formula

  • C36-H42-O4.C4-H4-O4

Molecular Formula Fragments

  • C36-H42-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H21NO2.C4H4O4/c2*1-2-7-16(8-3-1)21-18-9-5-4-6-15(18)10-11-17-14-19-12-13-20-17;5-3(6)1-2-4(7)8/h2*1-9,17,19H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

HEQPWSXOQAXCMH-WXXKFALUSA-N

Smiles

c1ccc(cc1)Oc2ccccc2CCC3CNCCO3.c1ccc(cc1)Oc2ccccc2CCC3CNCCO3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4049808,