(2S,4S,5S,7S)-7-(3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL)-5-AMINO-N-(2-CARBAMOYL-2-METHYLPROPYL)-4-HYDROXY-2-ISOPROPYL-8-METHYLNONANAMIDE HYDROCHLORIDE

CAS No.
173399-03-6 ;173334-57-1
CCD No.
CCD02001276
Formula
C30 H53 N3 O6 . Cl H
MolWeight
588.225

Basic Information

Product Name: (2S,4S,5S,7S)-7-(3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL)-5-AMINO-N-(2-CARBAMOYL-2-METHYLPROPYL)-4-HYDROXY-2-ISOPROPYL-8-METHYLNONANAMIDE HYDROCHLORIDE
CAS: 173399-03-6 ;173334-57-1
English Synonyms: ALISKIREN ; (2S,4S,5S,7S)-7-(3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL)-5-AMINO-N-(2-CARBAMOYL-2-METHYLPROPYL)-4-HYDROXY-2-ISOPROPYL-8-METHYLNONANAMIDE HYDROCHLORIDE ; ALISKIREN HYDROCHLORIDE
MDL Number.: MFCD13185885
H bond acceptor: 9
H bond donor: 4
Smile: CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl
InChi: InChI=1S/C30H53N3O6.ClH/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H/t22-,23-,24-,25-;/m0./s1
InChiKey: InChIKey=BSJUIBZAXCXFMZ-NATPOTRJSA-N

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