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Substance Name: Cyclopropanecarboxylic acid, 2-(((2-hydroxyethyl)methylamino)methyl)-1-phenyl-, ethyl ester, cis-, (E)-2-butenedioate (1:1) (salt)
RN: 85467-28-3
InChIKey: WMPZJTJXHIWWGM-POFUMXIMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O3.C4-H4-O4

Molecular Weight

  • 393.4333
 
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Names and Synonyms

  • Cyclopropanecarboxylic acid, 2-(((2-hydroxyethyl)methylamino)methyl)-1-phenyl-, ethyl ester, cis-, (E)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 85467-28-3

System Generated Number

  • 0085467283

Molecular Formulas

Molecular Formula

  • C16-H23-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C16-H23-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO3.C4H4O4/c1-3-20-15(19)16(13-7-5-4-6-8-13)11-14(16)12-17(2)9-10-18;5-3(6)1-2-4(7)8/h4-8,14,18H,3,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,16+;/m1./s1

InChIKey

WMPZJTJXHIWWGM-POFUMXIMSA-N

Smiles

CCOC(=O)[C@@]1(C[C@@H]1CN(C)CCO)c2ccccc2.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)   Journal of Medicinal Chemistry. Vol. 30, Pg. 318, 1987.