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Substance Name: ENT 24717
RN: 326-12-5
InChIKey: XXXSILNSXNPGKG-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-O6-P

Molecular Weight

  • 314.272
 
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Names and Synonyms

Results Name

  • ENT 24717

Synonyms

  • 3-Hydroxycrotonic acid alpha-methylbenzyl ester dimethyl phosphate
  • ENT-24717

Systematic Names

  • 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
  • Crotonic acid, 3-hydroxy-, alpha-methylbenzyl ester, dimethyl phosphate

Registry Numbers

CAS Registry Number

  • 326-12-5

System Generated Number

  • 0000326125

Structure Descriptors

InChI

1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+

InChIKey

XXXSILNSXNPGKG-ZHACJKMWSA-N

Smiles

P(OC)(O\C(=C\C(=O)O[C@@H](c1ccccc1)C)C)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 66mg/kg (66mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 78, 1967.
rat LD50 skin 447mg/kg (447mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 78, 1967.