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Substance Name: IB 503
RN: 14942-31-5
InChIKey: ZDYPMKZEUSYJQI-LZYBPNLTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C17-H21-N-S
  • C18-H21-N-S

Molecular Weight

  • 283.4369
 
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Names and Synonyms

Name of Substance

  • IB 503

Synonyms

  • 3-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-N,N-dimethyl-1-propanamine
  • 4-(3-Dimethylaminopropyliden)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-B)tiophen
  • 4-(3-Dimethylaminopropyliden)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-B)tiophen [German]
  • 4-(3-Dimethylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophene
  • IB 503
  • NPL 82

Systematic Names

  • 1-Propanamine, 3-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-N,N-dimethyl-
  • 3-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-N,N-dimethyl-1-propanamine
  • 4H-Benzo(4,5)cyclohepta(1,2-b)thiophene, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-

Registry Numbers

CAS Registry Number

  • 14942-31-5

System Generated Number

  • 0014942315

Structure Descriptors

InChI

1S/C18H21NS/c1-19(2)12-5-8-16-15-7-4-3-6-14(15)9-10-18-17(16)11-13-20-18/h3-4,6-8,11,13H,5,9-10,12H2,1-2H3/b16-8+

InChIKey

ZDYPMKZEUSYJQI-LZYBPNLTSA-N

Smiles

CN(C)CC/C=C/1\c2ccccc2CCc3c1ccs3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
mouse LD50 oral 600mg/kg (600mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rabbit LD50 intravenous 8mg/kg (8mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rabbit LD50 oral 580mg/kg (580mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rat LD50 intravenous 23mg/kg (23mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rat LD50 oral 700mg/kg (700mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.