Melphalan
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CAS Number 148-82-3
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Catalog Number io-2593
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Classification Acids
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Molecular Weight 305.2000
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SMILES C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
| Size | QTY | Notes | |
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Melphalan can cause cancer according to California Labor Code. It can cause developmental toxicity according to state or federal government labeling requirements.
| 1 | melphalan |
| 2 | Alkeran |
| 3 | Melfalan |
| 4 | L-PAM |
| 5 | Phenylalanine mustard |
| Molecular Formula | C13H18Cl2N2O2 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl |
| Isomeric SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl |
| Molecular Weight | 305.2000 |
| InChIKey | SGDBTWWWUNNDEQ-LBPRGKRZSA-N |
| 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 |
| XLogP | -0.5000 |
| ExactMass | 304.0745 |
| MonoisotopicMass | 304.0745 |
| TPSA | 66.6000 |
| Complexity | 265.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 128050 |
| PatentFamilyCount | 33831 |
| LiteratureCount | 8379 |
