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Substance Name: Isonipecotamide, 1-(3-(3-chloro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, maleate (1:2)
RN: 28121-31-5
InChIKey: SQHRYUSXKIJQDM-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-Cl-N4-O.2C4-H4-O4

Molecular Weight

  • 671.143
 
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Names and Synonyms

  • Isonipecotamide, 1-(3-(3-chloro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 28121-31-5

System Generated Number

  • 0028121315

Molecular Formulas

Molecular Formula

  • C25-H31-Cl-N4-O.2C4-H4-O4

Molecular Formula Fragments

  • C25-H31-Cl-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31ClN4O.2C4H4O4/c1-28(2)25(24(27)31)12-16-29(17-13-25)14-5-15-30-22-7-4-3-6-19(22)8-9-20-18-21(26)10-11-23(20)30;2*5-3(6)1-2-4(7)8/h3-4,6-11,18H,5,12-17H2,1-2H3,(H2,27,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

SQHRYUSXKIJQDM-SPIKMXEPSA-N

Smiles

C1(CC[NH+](CC1)CCCN1c2c(cc(Cl)cc2)C=Cc2c1cccc2)(C(N)=O)[NH+](C)C.C(=C/C(=O)[O-])\C(O)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.