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Substance Name: 1-Pyrrolidineethanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
RN: 149338-18-1
InChIKey: PMIYFFUBIVIPRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl-N3-O2-S

Molecular Weight

  • 325.8184
 
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Names and Synonyms

Synonyms

  • BRN 5825822
  • N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-1-pyrrolidineethanamine

Systematic Name

  • 1-Pyrrolidineethanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-

Registry Numbers

CAS Registry Number

  • 149338-18-1

System Generated Number

  • 0149338181

Structure Descriptors

InChI

1S/C14H16ClN3O2S/c15-10-3-4-12-11(9-10)13(14(21-12)18(19)20)16-5-8-17-6-1-2-7-17/h3-4,9,16H,1-2,5-8H2

InChIKey

PMIYFFUBIVIPRC-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)c(c(s2)[N+](=O)[O-])NCCN3CCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Farmaco. Vol. 47, Pg. 1149, 1992.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 47, Pg. 1149, 1992.