(±)-PPCC Oxalate

Analyte Name

(±)-PPCC Oxalate

CAS Number

932736-91-9

Molecular Formula

2(C24H29NO3) • C2H2O4

Molecular Weight

849.03

Accurate Mass

848.42

SMILES

CC1=CC=C([C@@]2(C(OC)=O)[C@H](CN3CCC(CC3)(C4=CC=CC=C4)O)C2)C=C1.OC(C(O)=O)=O.CC5=CC=C([C@@]6(C(OC)=O)[C@H](CN7CCC(CC7)(C8=CC=CC=C8)O)C6)C=C5

InChI

InChI=1S/2C24H29NO3.C2H2O4/c2*1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19;3-1(4)2(5)6/h2*3-11,21,27H,12-17H2,1-2H3;(H,3,4)(H,5,6)/t2*21-,24+;/m00./s1

IUPAC

methyl (1S,2R)-2-((4-hydroxy-4-phenylpiperidin-1-yl)methyl)-1-(p-tolyl)cyclopropane-1-carboxylate hemioxalate

Alternate CAS Number

932736-90-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat