L-703606 Oxalate

Name: L-703606 Oxalate
CAS#: 144425-84-3
Chemical Formula: C29H31IN2O4
Exact Mass: 508.1375
Molecular Weight: 598.4815
Elemental Analysis: C, 58.20; H, 5.22; I, 21.20; N, 4.68; O, 10.69

Description: L-703,606 is a potent, selective antagonist to the human NK1 receptor.

IUPAC/Chemical Name: (7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine oxalate

InChi Key: VHLWXEPQCNQPNC-CNZCJKERSA-N

InChi Code: InChI=1S/C27H29IN2.C2H2O4/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6)/t26-,27-;/m1./s1

SMILES Code: IC1=CC=CC=C1CN[C@H]2[C@@H](C(C3=CC=CC=C3)C4=CC=CC=C4)N5CCC2CC5.O=C(O)C(O)=O

Appearance: Solid powder