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Substance Name: Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-1-piperidinyl)-, ethyl ester
RN: 104608-37-9
InChIKey: QXQJMDBRPLNYHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N2-O3-P-S

Molecular Weight

  • 414.4637
 
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Names and Synonyms

Synonyms

  • BRN 4212743
  • Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-1-piperidinyl)phosphinate

Systematic Name

  • Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-1-piperidinyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 104608-37-9

System Generated Number

  • 0104608379

Structure Descriptors

InChI

1S/C21H23N2O3PS/c1-2-26-27(25,23-14-6-5-9-20(23)24)15-16-10-12-17(13-11-16)21-22-18-7-3-4-8-19(18)28-21/h3-4,7-8,10-13H,2,5-6,9,14-15H2,1H3

InChIKey

QXQJMDBRPLNYHP-UHFFFAOYSA-N

Smiles

CCOP(=O)(Cc1ccc(cc1)c2nc3ccccc3s2)N4CCCCC4=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.