Lapaquistat Acetate

2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid

Also Known As: Lapaquistat acetate|Lapaquistat|TAK-475|TAK 475|Lapaquistat acetate [USAN]|TAK475|Lapaquistat acetate (USAN)|Lapaquistat acetate [USAN:JAN]|Lapaquistat Acetate (TAK-475)|Lapaquistat acetate (JAN/USAN)|LAPAQUISTAT ACETATE [JAN]|EX-A5978|AN-5480|2-(1-(2-((3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-3-yl)acetyl)piperidin-4-yl)acetic acid|J2.565.621K|T-91485|2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid|B0084-061834|2-(1-{2-[(3R,5S)-1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid

Molecular Formula	C33H41ClN2O9
Molecular Weight	644.25006 g/mol
LogP	4.8711
Topological Polar Surface Area	131.91 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	644.25006
Monoisotopic Mass	644.25006
Heavy Atoms	45
Complexity	1420.8826

Chemical Identifiers

CAS Number	189059-71-0
SMILES	CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC