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Substance Name: 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
RN: 4425-23-4
InChIKey: HTLIIBRHXAULMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O

Molecular Weight

  • 214.267
 
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Names and Synonyms

Name of Substance

  • 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one

Synonyms

  • 1,2,3,4-Tetrahydro-5H,11H-azepino(2,1-b)quinazolin-11-one
  • 5-24-03-00544 (Beilstein Handbook Reference)
  • 7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
  • 7,8,9,10-Tetrahydroazepino(2,1-b)quinazoline-12(6H)-one
  • BRN 0010818
  • Deoxydihomo-'c' vasicinone
  • RLX

Systematic Name

  • Azepino(2,1-b)quinazolin-12(6H)-one, 7,8,9,10-tetrahydro-

Registry Numbers

CAS Registry Number

  • 4425-23-4

System Generated Number

  • 0004425234

Structure Descriptors

InChI

1S/C13H14N2O/c16-13-10-6-3-4-7-11(10)14-12-8-2-1-5-9-15(12)13/h3-4,6-7H,1-2,5,8-9H2

InChIKey

HTLIIBRHXAULMB-UHFFFAOYSA-N

Smiles

c1cc2c(=O)n3CCCCCc3nc2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 675mg/kg (675mg/kg)   Drugs of the Future. Vol. 6, Pg. 362, 1981.
mouse LD50 oral 1250mg/kg (1250mg/kg)   Drugs of the Future. Vol. 6, Pg. 362, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2 (none)   EXP
Water Solubility 723 mg/L 25 EST
Vapor Pressure 2.68E-06 mm Hg 25 EST
Henry's Law Constant 1.10E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.75E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.