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Substance Name: Pyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-N,N-bis((4-chlorophenyl)methyl)-, (E)-2-butenedioate (1:2)
RN: 95857-77-5
InChIKey: DPYSXKDADCOPBK-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl2-N3-O.2C4-H4-O4

Molecular Weight

  • 634.4661
 
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Names and Synonyms

  • Pyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-N,N-bis((4-chlorophenyl)methyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 95857-77-5

System Generated Number

  • 0095857775

Molecular Formulas

Molecular Formula

  • C21-H21-Cl2-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C21-H21-Cl2-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21Cl2N3O.2C4H4O4/c22-17-5-1-15(2-6-17)11-26(12-16-3-7-18(23)8-4-16)13-20-21-19(9-10-27-20)24-14-25-21;2*5-3(6)1-2-4(7)8/h1-8,14,20H,9-13H2,(H,24,25);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

DPYSXKDADCOPBK-LVEZLNDCSA-N

Smiles

c1nc2c([nH]1)CCOC2CN(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 23, 1986.