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Substance Name: (1)Benzoxepino(3,4-b)pyridin-5-amine, 5,11-dihydro-N-(2-(4-morpholinyl)ethyl)-, hydrochloride, hydrate (1:3:1)
RN: 95968-80-2
InChIKey: XUVDGVNUGZRIKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O2.3Cl-H.H2-O

Molecular Weight

  • 415.915
 
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Names and Synonyms

Synonym

  • 5-(2-(Morpholino)ethyl)amino-5,11-dihydro(1)benzoxepino(3,4-b)pyridine 3HCl hydrate

Systematic Name

  • (1)Benzoxepino(3,4-b)pyridin-5-amine, 5,11-dihydro-N-(2-(4-morpholinyl)ethyl)-, hydrochloride, hydrate (1:3:1)

Registry Numbers

CAS Registry Number

  • 95968-80-2

System Generated Number

  • 0095968802

Molecular Formulas

Molecular Formula

  • C19-H23-N3-O2.3Cl-H.H2-O

Molecular Formula Fragments

  • C19-H23-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H23N3O2.ClH.3H2O/c1-2-6-18-16(4-1)19(15-5-3-7-20-17(15)14-24-18)21-8-9-22-10-12-23-13-11-22;;;;/h1-7,19,21H,8-14H2;1H;3*1H2

InChIKey

XUVDGVNUGZRIKB-UHFFFAOYSA-N

Smiles

c12c(cccn1)C(c1c(OC2)cccc1)NCCN1CCOCC1.Cl.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   European Patent Application. Vol. #0129879,
mouse LD oral > 300mg/kg (300mg/kg)   European Patent Application. Vol. #0129879,