Lapaquistat

CAS Registry Number®

189059-71-0
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CAS Name

Lapaquistat

Molecular Formula

C31H39ClN2O8

Molecular Mass

603.10

Cite this Page

Lapaquistat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=189059-71-0 (retrieved 2024-04-19) (CAS RN: 189059-71-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1

InChIKey

InChIKey=HDGUKVZPMPJBFK-LEAFIULHSA-N

SMILES

O(C)C1=C([C@@H]2C=3C(N(CC(CO)(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(O)CC1CCN(C(=O)CC2OC(C=3C=CC=C(OC)C3OC)C4=CC(Cl)=CC=C4N(C2=O)CC(C)(C)CO)CC1

Other Names for this Substance

  • 4-Piperidineacetic acid, 1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-
  • 4-Piperidineacetic acid, 1-[[7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-, (3R-trans)-
  • 4-Piperidineacetic acid, 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-
  • 1-[2-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-4-piperidineacetic acid
  • T 91485

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