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Substance Name: Pyrazino(2,1-b)(3)benzazepine-2(1H)-ethanol, 3,4,6,7,12,12a-hexahydro-alpha-phenyl-, (E)-2-butenedioate (1:2) (salt)
RN: 58350-16-6
InChIKey: QJHWEASBOFYORJ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O.2C4-H4-O4

Molecular Weight

  • 554.5926
 
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Names and Synonyms

Synonym

  • 2-(beta-Hydroxyphenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine difumarate

Systematic Name

  • Pyrazino(2,1-b)(3)benzazepine-2(1H)-ethanol, 3,4,6,7,12,12a-hexahydro-alpha-phenyl-, (E)-2-butenedioate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 58350-16-6

System Generated Number

  • 0058350166

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O.2C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O.2C4H4O4/c24-15-14-22-12-13-23-11-10-17-6-4-5-9-19(17)21(20(23)16-22)18-7-2-1-3-8-18;2*5-3(6)1-2-4(7)8/h1-9,20-21,24H,10-16H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

QJHWEASBOFYORJ-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C2C3N(CCN(C3)CCO)CCc4c2cccc4.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 100mg/kg (100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

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