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Substance Name: Pyrazino(1,2-b)(2)benzazepine, 1,2,3,4,6,11,12,12a-octahydro-, (E)-2-butenedioate (1:2)
RN: 58350-23-5
InChIKey: ROOADFGHAHBPOL-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2.2C4-H4-O4

Molecular Weight

  • 434.4424
 
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Names and Synonyms

Synonym

  • 1,2,3,4,6,11,12,12a-Octahydropyrazino(1,2-b)(2)benzazepine (E)-2-butenedioate (1:2)

Systematic Name

  • Pyrazino(1,2-b)(2)benzazepine, 1,2,3,4,6,11,12,12a-octahydro-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 58350-23-5

System Generated Number

  • 0058350235

Molecular Formulas

Molecular Formula

  • C13-H18-N2.2C4-H4-O4

Molecular Formula Fragments

  • C13-H18-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2.2C4H4O4/c1-2-4-12-10-15-8-7-14-9-13(15)6-5-11(12)3-1;2*5-3(6)1-2-4(7)8/h1-4,13-14H,5-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ROOADFGHAHBPOL-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)CN3C(CNCC3)CC2.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
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Indian Journal of Chemistry. Vol. 13, Pg. 893, 1975.