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Substance Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, maleate (1:2)
RN: 1110-46-9
InChIKey: IPIBQYGIUWROLW-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-Cl-F-N4-O2.2C4-H4-O4

Molecular Weight

  • 691.105
 
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Names and Synonyms

Synonym

  • But-2-enedioic acid, 7-chloro-5-(2-fluorophenyl)-1-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-3H-1,4-benzodiazepin-2-one

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 1110-46-9

System Generated Number

  • 0001110469

Molecular Formulas

Molecular Formula

  • C24-H28-Cl-F-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C24-H28-Cl-F-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28ClFN4O2.2C4H4O4/c25-18-6-7-22-20(16-18)24(19-4-1-2-5-21(19)26)27-17-23(32)30(22)9-3-8-28-10-12-29(13-11-28)14-15-31;2*5-3(6)1-2-4(7)8/h1-2,4-7,16,31H,3,8-15,17H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

IPIBQYGIUWROLW-SPIKMXEPSA-N

Smiles

c12C(c3c(cccc3)F)=NCC(N(c1ccc(c2)Cl)CCCN1CCN(CCO)CC1)=O.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 165mg/kg (165mg/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.