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Substance Name: Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(hexahydro-2-oxo-1H-azepin-1-yl)-, ethyl ester
RN: 104608-38-0
InChIKey: LYLDLQDRDBSOGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N2-O3-P-S

Molecular Weight

  • 428.4905
 
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Names and Synonyms

Synonyms

  • BRN 4213489
  • Ethyl (4-(2-benzothiazolyl)benzyl)(hexahydro-2-oxo-1H-azepin-1-yl)phosphinate
  • RTECS SY7686000

Systematic Name

  • Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(hexahydro-2-oxo-1H-azepin-1-yl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 104608-38-0

System Generated Number

  • 0104608380

Structure Descriptors

InChI

1S/C22H25N2O3PS/c1-2-27-28(26,24-15-7-3-4-10-21(24)25)16-17-11-13-18(14-12-17)22-23-19-8-5-6-9-20(19)29-22/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3

InChIKey

LYLDLQDRDBSOGP-UHFFFAOYSA-N

Smiles

CCOP(=O)(Cc1ccc(cc1)c2nc3ccccc3s2)N4CCCCCC4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2192, 1990.