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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(3-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride
RN: 4084-17-7
InChIKey: QEUKBYHCAKPCFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-F-N3-O.2Cl-H

Molecular Weight

  • 476.8481
 
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Names and Synonyms

  • 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-1-(3-(diethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 4084-17-7

System Generated Number

  • 0004084177

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-F-N3-O.2Cl-H

Molecular Formula Fragments

  • C22-H27-Cl-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27ClFN3O.2ClH/c1-3-26(4-2)12-7-13-27-20-11-10-16(23)14-18(20)22(25-15-21(27)28)17-8-5-6-9-19(17)24;;/h5-6,8-11,14,22,25H,3-4,7,12-13,15H2,1-2H3;2*1H

InChIKey

QEUKBYHCAKPCFT-UHFFFAOYSA-N

Smiles

CC[NH+](CC)CCCN1c2ccc(cc2C([NH2+]CC1=O)c3ccccc3F)Cl.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTICONVULSANT
Journal of Medicinal Chemistry. Vol. 8, Pg. 815, 1965.