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Substance Name: Pyrrolidine, 1-((2-(aminomethyl)-1-phenylcyclopropyl)carbonyl)-, cis-, oxalate, hydrate (2:2:1)
RN: 105310-44-9
InChIKey: CYETWLOTHUPWLU-SLHAJLBXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O.C2-H2-O4.1/2H2-O

Molecular Weight

  • 334.3698
 
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Names and Synonyms

Synonym

  • cis-1-((2-(Aminomethyl)-1-phenylcyclopropyl)carbonyl)pyrrolidine oxalate hydrate (2:2:1)

Systematic Name

  • Pyrrolidine, 1-((2-(aminomethyl)-1-phenylcyclopropyl)carbonyl)-, cis-, oxalate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 105310-44-9

System Generated Number

  • 0105310449

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C15-H20-N2-O
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H20N2O.C2H2O4/c16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17;3-1(4)2(5)6/h1-3,6-7,13H,4-5,8-11,16H2;(H,3,4)(H,5,6)/t13-,15-;/m0./s1

InChIKey

CYETWLOTHUPWLU-SLHAJLBXSA-N

Smiles

c1ccc(cc1)[C@]2(C[C@H]2CN)C(=O)N3CCCC3.C(=O)(C(=O)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.