Lapaquistat acetate

CAS Registry Number®

189060-13-7

CAS Name

Lapaquistat acetate

Molecular Formula

C33H41ClN2O9

Molecular Mass

645.14

Cite this Page

Lapaquistat acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189060-13-7 (retrieved 2024-11-25) (CAS RN: 189060-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194-196 °C

Source(s)

Other Names and Identifiers

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

InChIKey=CMLUGNQVANVZHY-POURPWNDSA-N

SMILES

O(C)C1=C([C@@H]2C=3C(N(CC(COC(C)=O)(C)C)C(=O)[C@@H](CC(=O)N4CCC(CC(O)=O)CC4)O2)=CC=C(Cl)C3)C=CC=C1OC

Canonical SMILES

O=C(OCC(C)(C)CN1C(=O)C(OC(C=2C=CC=C(OC)C2OC)C3=CC(Cl)=CC=C31)CC(=O)N4CCC(CC(=O)O)CC4)C

Other Names for this Substance

  • 4-Piperidineacetic acid, 1-[2-[(3R,5S)-1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-
  • 4-Piperidineacetic acid, 1-[[1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-, (3R-trans)-
  • 4-Piperidineacetic acid, 1-[[(3R,5S)-1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-
  • 1-[2-[(3R,5S)-1-[3-(Acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-4-piperidineacetic acid
  • TAK 475

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