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Substance Name: Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, propyl ester, (Z)-, (E)-2-butenedioate (1:1)
RN: 85467-60-3
InChIKey: RZYQQCYFHWXDPC-POFUMXIMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2.C4-H4-O4

Molecular Weight

  • 377.434
 
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Names and Synonyms

Synonym

  • (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate

Systematic Name

  • Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, propyl ester, (Z)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 85467-60-3

System Generated Number

  • 0085467603

Molecular Formulas

Molecular Formula

  • C16-H23-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C16-H23-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO2.C4H4O4/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13;5-3(6)1-2-4(7)8/h5-9,14H,4,10-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,16+;/m1./s1

InChIKey

RZYQQCYFHWXDPC-POFUMXIMSA-N

Smiles

C1[C@@H]([C@@]1(c1ccccc1)C(OCCC)=O)C[NH+](C)C.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 562mg/kg (562mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE Journal of Medicinal Chemistry. Vol. 30, Pg. 318, 1987.