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Substance Name: Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester
RN: 114416-20-5
InChIKey: XCZPKXSAYJHEMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N-O5-P

Molecular Weight

  • 343.3574
 
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Names and Synonyms

Synonyms

  • 4-(((Dipropoxyphosphinyl)methyl)amino)benzoic acid ethyl ester
  • BRN 5606879
  • Dipropyl (p-ethoxycarbonylphenylaminomethyl)phosphonate

Systematic Name

  • Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 114416-20-5

System Generated Number

  • 0114416205

Structure Descriptors

InChI

1S/C16H26NO5P/c1-4-11-21-23(19,22-12-5-2)13-17-15-9-7-14(8-10-15)16(18)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3

InChIKey

XCZPKXSAYJHEMB-UHFFFAOYSA-N

Smiles

CCCOP(=O)(CNc1ccc(cc1)C(=O)OCC)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 760mg/kg (760mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmaceutical Chemistry Journal Vol. 22, Pg. 142, 1988.