Analyte Name

Demethoxy Aliskiren Fumarate

CAS Number

1438401-07-0

Molecular Formula

C29H51N3O5.0.5(C4H4O4)

Molecular Weight

579.775

Accurate Mass

579.385

SMILES

OC(/C=C/C(O)=O)=O.NC(C(C)(C)CNC([C@H](C(C)C)C[C@H](O)[C@@H](N)C[C@@H](C(C)C)CC1=CC(OCCCOC)=CC=C1)=O)=O.NC(C(C)(C)CNC([C@H](C(C)C)C[C@H](O)[C@@H](N)C[C@@H](C(C)C)CC2=CC(OCCCOC)=CC=C2)=O)=O

InChI

InChI=1S/2C29H51N3O5.C4H4O4/c2*1-19(2)22(14-21-10-8-11-23(15-21)37-13-9-12-36-7)16-25(30)26(33)17-24(20(3)4)27(34)32-18-29(5,6)28(31)35;5-3(6)1-2-4(7)8/h2*8,10-11,15,19-20,22,24-26,33H,9,12-14,16-18,30H2,1-7H3,(H2,31,35)(H,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,24-,25-,26-;/m00./s1

IUPAC

di(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(3-(3-methoxypropoxy)benzyl)-8-methylnonanamide fumarate

Alternate CAS Number

1438401-06-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat