PX 478

CAS Registry Number®

685898-44-6
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CAS Name

PX 478

Molecular Formula

C13H18Cl2N2O3.2ClH

Cite this Page

PX 478.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=685898-44-6 (retrieved 2024-09-19) (CAS RN: 685898-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1

InChIKey

InChIKey=GIGCDIVNDFQKRA-LTCKWSDVSA-N

SMILES

N(CCCl)(CCCl)(=O)C1=CC=C(C[C@@H](C(O)=O)N)C=C1.Cl

Canonical SMILES

Cl.O=C(O)C(N)CC1=CC=C(C=C1)N(=O)(CCCl)CCCl

Other Names for this Substance

  • L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoamino]-, hydrochloride (1:2)
  • L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoamino]-, dihydrochloride
  • PX 478
  • (S)-4-(2-Amino-2-carboxyethyl)-N,N-bis(2-chloroethyl)aniline oxide dihydrochloride