melphalan

Synonyms: "melphalan", "Alkeran", "Melfalan", "L-PAM", "Phenylalanine mustard", "L-Sarcolysine", "L-Sarcolysin", "L-Phenylalanine mustard", "p-L-Sarcolysin", "Melphalanum", "Levopholan", "Melfalano", "Levofolan", "4-[Bis(2-chloroethyl)amino]-L-phenylalanine", "Phenylalanine nitrogen mustard", "Levofalan", "p-Bis(beta-chloroethyl)aminophenylalanine", "Alanine Nitrogen Mustard", "p-Di-(2-chloroethyl)amino-L-phenylalanine", "L-Sarkolysin"

Source: melphalan is used to treat certain types of cancer.

Identifiers:

IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
CAS Number: 148-82-3
PubChem ID: 460612
InChiKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl

Structural Properties:

Molecular Formula: C₁₃H₁₈Cl₂N₂O₂
Molecular Weight: 305.2

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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