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148-82-3

148-82-3 structural image
Product Name: Melphalan
Formula: C13H18Cl2N2O2
Synonyms: L-PAM;L-Phenylalanine mustard;4-[Bis(2-chloroethyl)amino]-L-phenylalanine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Melphalan appears as white to buff-colored powder. Odorless or with a faint odor. An antineoplastic medicine.
Color/Form Needles from methanol (monosolvate)
Odor Odorless
Melting Point 351 °F (decomposes) (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
LogP -0.52
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Specific optical rotation: -31.5 deg at 22 °C/D (c = 0.67 in methanol); +7.5 deg 25 °C/D (c = 1.33 in 1.0 N HCl)
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas.
Collision Cross Section 168.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Needles from methanol (monosolvate), MP: 1815.-182 °C (decomposes). Specific optical rotation: -7.5 deg at 21 °C/D (c = 1.26 in 1.0 N HCl) /Melphalan D-form/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H300:Acute toxicity,oral
H317:Sensitisation, Skin
H340:Germ cell mutagenicity
H350:Carcinogenicity
H361:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 305.20 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 304.0745332 g/mol
Monoisotopic Mass 304.0745332 g/mol
Topological Polar Surface Area 66.6 Ų
Heavy Atom Count 19
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Melphalan appears as white to buff-colored powder. Odorless or with a faint odor. An antineoplastic medicine.