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3223-07-2

3223-07-2 structural image
Product Name: 4-BIS(2-CHLORETHYL)-AMINO-L-PHENYLALANINE HYDROCHLORIDE
Formula: C13H19Cl3N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 95% ethanol <0.9 (mg/mL)
Stability/Shelf Life Bulk: A dried sample, stored at 60 °C for 15 days, showed about 10% decomposition as indicated by UV absorption and ionic chloride content. Solution: After 24 hours in water at 28 °C, approximately 80% decomposition was observed (TLC).
Optical Rotation (c = 0.7, methanol on a dried basis) [a]24 D = -31.5 ± 2°

COMPUTED DESCRIPTORS

Molecular Weight 341.7 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 340.051211 g/mol
Monoisotopic Mass 340.051211 g/mol
Topological Polar Surface Area 66.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 265
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Melphalan Hydrochloride is a bifunctional alkylating agent and phenylalanine derivative of nitrogen mustard. Melphalan hydrochloride is converted into highly reactive ethylenimmonium intermediates that induce covalent guanine N7-N7 intra- and inter-crosslinks and alkylation of adenine N3 of DNA. This agent also alkylates RNA and protein structures. As a result RNA transcription and protein synthesis are inhibited, ultimately leading to cell growth arrest and/or death.

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