Px 478
4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride
Molecular Identity
Px 478
4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride
PubChem CID: 11234794
2D Structure
Properties
C13H20Cl4N2O3
Molecular Formula
394.10
Molecular Weight
g/mol
394.0199
Exact Mass
Da
81.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
304
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.ClIsomeric SMILES
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.ClSynonyms(20)
685898-44-6PX-478PX 478PX478T23U22X160DTXSID00218688L-Phenylalanine, 4-(bis(2-chloroethyl)oxidoamino)-, dihydrochloridePX478 cpdRefChem:177358DTXCID50141179N-(4-((2S)-2-amino-2-carboxyethyl)phenyl)-2-chloro-N-(2-chloroethyl)ethanamine oxide dihydrochloridePX-478 2HClPX-478 HClPX-478 dihydrochloride(S)-4-(2-amino-2-carboxyethyl)-N,N-bis(2-chloroethyl)aniline oxide dihydrochloride
Data from PubChem (NCBI)
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