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Melphalan

CAT: 0013-GTR19264888-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264888-01Size:5 mg
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Description
Melphalan is an orally bioavailable DNA alkylating agent exhibiting antitumour activity, commonly employed in cancer chemotherapy.
CAS Number
148-82-3
Field of Research
Molecular Biology, Pharmacology & Drug Discovery
Smiles
N (CCCl) (CCCl) C1=CC=C (C[C@@H] (C (O) =O) N) C=C1
Molecular Formula
C13H18Cl2N2O2
Molecular Weight
305.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Melphalan

Melphalan can cause cancer according to California Labor Code. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number148-82-3
PubChem CID460612
IUPAC Name(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20
XLogP-0.5
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity265
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
InChIKey
SGDBTWWWUNNDEQ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Melphalan
CAS: 148-82-3
CID: 460612
Formula: C13H18Cl2N2O2
MW: 305.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.20
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass304.0745332
Monoisotopic Mass304.0745332
Topological Polar Surface Area66.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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