Products 3734-80-3
CAS 3734-80-3 is the registry number for Ocaphane (free acid). Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid (CAS 3734-80-3) is a chemical compound with the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.2 g/mol. IUPAC name: (2S)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid. InChIKey: IKQQYIXDSFFRTE-ZDUSSCGKSA-N.
| Molecular formula | C14H20Cl2N2O2 |
|---|---|
| Molecular weight | 319.2 g/mol |
| IUPAC name | (2S)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid |
| InChIKey | IKQQYIXDSFFRTE-ZDUSSCGKSA-N |
| SMILES | C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)CN(CCCl)CCCl |
Computed by PubChem (NCBI)
Synonyms:
Ocaphane, o-(Bis-(2-chloroethyl)-aminomethyl)phenylalanine, 2-{[bis(2-chloroethyl)amino]methyl}-l-phenylalanine, (2S)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid, (S)-2-amino-3-(2-((bis(2-chloroethyl)amino)methyl)phenyl)propanoic acid, 2-{[bis(2-chloroethyl)amino]methyl}phenylalanine