RefChem:372006

1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid

Also Known As: Flupentixol EP Impurity A|KST-1B2142|1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)piperazine dioxalate|1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol; oxalic acid|1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid|Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)-, dioxalate|1-[4-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)piperazin-1-yl]propan-2-ol ethanedioate(1:2)|Oxalic acid--1-[4-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)piperazin-1-yl]propan-2-ol (2/1)

Molecular Formula	C26H33ClN2O9S
Molecular Weight	584.15955 g/mol
LogP	2.47
Topological Polar Surface Area	175.91 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	584.15955
Heavy Atoms	39
Complexity	999.2

Chemical Identifiers

CAS Number	23904-98-5
SMILES	CC(CN1CCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O