L-Praziquanamine - CAS 99746-73-3

Catalog:	BB076586
Product Name:	L-Praziquanamine
CAS:	99746-73-3
Synonyms:	(11bS)-1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one;(+)-Praziquanamine;(S)-1,2,3,6,7,11b-Hexahydro-4H-Pyrazino[2,1-a]isoquinolin-4-one;(11bS)-1,2,3,6,7,11b-Hexahydro-4H-Pyrazino[2,1-a]isoquinolin-4-one

Technical Data

IUPAC Name:	(11bS)-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
Description:	L-Praziquanamine is an intermediate in the synthesis of Unlabeled (S)-Praziquante-d11 (P702105), used in the synthetic preparation of perphenylcarbamated β-cyclodextrin based chiral stationary phases via thiol-ene click chemistry for HPLC enantioseparations. (S)-Praziquantel is also the inactive enantiomer of praziquantel regarding activity against juvenile S. mansoni infestations in mice.
Molecular Weight:	202.26
Molecular Formula:	C12H14N2O
Canonical SMILES:	C1CN2C(CNCC2=O)C3=CC=CC=C31
InChI:	InChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2/t11-/m1/s1
InChI Key:	GTRDOUXISKJZGL-LLVKDONJSA-N
Solubility:	Chloroform; Dichloromethane; Methanol
Appearance:	Off white powder
References:	Huang, G.; et al. Electrophoresis, 35, 2752 (2014); Xiao, S.; et al. Trans. R. Soc. Trop. Med. Hyg, 93, 324 (1999).

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7