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Substance Name: 1,3-Propanediamine, N'-(3,4-dihydro-2-methyl-3-phenyl-2H-pyrrol-5-yl)-N,N-diethyl-
RN: 50901-91-2
InChIKey: NEGKETXLHFSIHW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3

Molecular Weight

  • 287.4481
 
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Names and Synonyms

Synonyms

  • BRN 0485135
  • N'-(3,4-Dihydro-2-methyl-3-phenyl-2H-pyrrol-5-yl)-N,N-diethyl-1,3-propanediamine

Systematic Name

  • 1,3-Propanediamine, N'-(3,4-dihydro-2-methyl-3-phenyl-2H-pyrrol-5-yl)-N,N-diethyl-

Registry Numbers

CAS Registry Number

  • 50901-91-2

System Generated Number

  • 0050901912

Structure Descriptors

InChI

1S/C18H29N3/c1-4-21(5-2)13-9-12-19-18-14-17(15(3)20-18)16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,19,20)

InChIKey

NEGKETXLHFSIHW-UHFFFAOYSA-N

Smiles

CCN(CC)CCCNC1=NC(C(C1)c2ccccc2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 161, 1978.