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Substance Name: DL-Phenylalanine, beta-(3-bromo-1-oxopropoxy)-N-(1-oxo-2-propenyl)-, ethyl ester, erythro-
RN: 61454-10-2
InChIKey: YDOGTQXEDWPXAI-HZPDHXFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Br-N-O5

Molecular Weight

  • 398.251
 
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Names and Synonyms

Synonym

  • erythro-beta-(3-Bromo-1-oxopropoxy)-N-(1-oxo-2-propenyl)-DL-phenylalanine ethyl ester

Systematic Name

  • DL-Phenylalanine, beta-(3-bromo-1-oxopropoxy)-N-(1-oxo-2-propenyl)-, ethyl ester, erythro-

Registry Numbers

CAS Registry Number

  • 61454-10-2

System Generated Number

  • 0061454102

Structure Descriptors

InChI

1S/C17H20BrNO5/c1-3-13(20)19-15(17(22)23-4-2)16(24-14(21)10-11-18)12-8-6-5-7-9-12/h3,5-9,15-16H,1,4,10-11H2,2H3,(H,19,20)/t15-,16-/m1/s1

InChIKey

YDOGTQXEDWPXAI-HZPDHXFCSA-N

Smiles

CCOC(=O)[C@@H]([C@@H](c1ccccc1)OC(=O)CCBr)NC(=O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 480, 1976.