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Substance Name: N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester
RN: 159086-03-0
InChIKey: MDNDOHPJDIDCLS-VIOKTNGOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O4

Molecular Weight

  • 369.458
 
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Names and Synonyms

Name of Substance

  • N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester

Synonym

  • (E)-N-(5-(2-Furanyl)-3-oxo-4-pentenyl)-L-phenylalanine butyl ester

Systematic Name

  • L-Phenylalanine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 159086-03-0

System Generated Number

  • 0159086030

Structure Descriptors

InChI

1S/C22H27NO4/c1-2-3-15-27-22(25)21(17-18-8-5-4-6-9-18)23-14-13-19(24)11-12-20-10-7-16-26-20/h4-12,16,21,23H,2-3,13-15,17H2,1H3/b12-11+/t21-/m0/s1

InChIKey

MDNDOHPJDIDCLS-VIOKTNGOSA-N

Smiles

C([C@@H](NCCC(\C=C\c1occc1)=O)Cc1ccccc1)(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1562mg/kg (1562mg/kg)   Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 335, Pg. 388, 1994.