Primary record
Lapaquistat acetate
- CAS
- 189060-13-7
- PubChem CID
- 9874248
- 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
- Molecular Formula
- C33H41ClN2O9
- Molecular Weight
- 645.149
- Exact Mass
- 644.2501
- InChI
- InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1
- InChIKey
- CMLUGNQVANVZHY-POURPWNDSA-N
- LogP
- 4.8711
- TPSA
- 131.91
Names and synonyms
- Lapaquistat acetate
- Lapaquistat
- 189060-13-7
- TAK-475
- IUH3AY74O3
- TAK 475
- UNII-IUH3AY74O3
- Lapaquistat acetate [USAN]
- RefChem:798501
- TAK475
- D02FXU
- CHEMBL435224
- Lapaquistat acetate (USAN)
- C33H41ClN2O9
- Lapaquistat acetate [USAN:JAN]
- SCHEMBL206424
- DTXSID50432130
- Lapaquistat Acetate (TAK-475)
- orb1707099
- SCHEMBL29379346
- SCHEMBL29395209
- Lapaquistat acetate (JAN/USAN)
- DTXCID00382959
- LAPAQUISTAT ACETATE [JAN]
- CHEBI:229906
- GLXC-05050
- EX-A5978
- PHA06013
- ZINC3989256
- BDBM50118897