Analyte Name

Ro 25-6981 Maleate

CAS Number

1312991-76-6

Molecular Formula

C22H29NO2 • C4H4O4

Molecular Weight

455.55

Accurate Mass

455.23

SMILES

OC(C=C1)=CC=C1[C@H](O)[C@@H](C)CN2CCC(CC3=CC=CC=C3)CC2.OC(/C=C\C(O)=O)=O

InChI

InChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1

IUPAC

4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol maleate

Alternate CAS Number

Free Base: 169274-78-6

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat