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Substance Name: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-hydroxyethyl)-1-piperazinyl)acetyl)-, hydrochloride, hydrate (2:4:1)
RN: 77796-04-4
InChIKey: OCAPHIGEAXDVPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-F2-N3-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 502.43
 
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Names and Synonyms

Synonym

  • VUFB-14127

Systematic Name

  • 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-hydroxyethyl)-1-piperazinyl)acetyl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 77796-04-4

System Generated Number

  • 0077796044

Molecular Formulas

Molecular Formula

  • C24-H29-F2-N3-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C24-H29-F2-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H29F2N3O2.2ClH/c25-19-5-3-18(4-6-19)21-2-1-9-29(23-16-20(26)7-8-22(21)23)24(31)17-28-12-10-27(11-13-28)14-15-30;;/h3-8,16,21,30H,1-2,9-15,17H2;2*1H

InChIKey

OCAPHIGEAXDVPU-UHFFFAOYSA-N

Smiles

c12N(C(CN3CCN(CCO)CC3)=O)CCC[C@@H](c1ccc(c2)F)c1ccc(cc1)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 148, 1981.