Candoxatril

CAS Registry Number®

123122-55-4
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CAS Name

Candoxatril

Molecular Formula

C29H41NO7

Molecular Mass

515.64

Cite this Page

Candoxatril.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123122-55-4 (retrieved 2024-04-24) (CAS RN: 123122-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1

InChIKey

InChIKey=ZTWZVMIYIIVABD-OEMFJLHTSA-N

SMILES

C([C@H](C(OC=1C=C2C(=CC1)CCC2)=O)COCCOC)C3(C(N[C@H]4CC[C@@H](C(O)=O)CC4)=O)CCCC3

Canonical SMILES

O=C(O)C1CCC(NC(=O)C2(CCCC2)CC(C(=O)OC3=CC=C4C(=C3)CCC4)COCCOC)CC1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 4-[[[1-[(2S)-3-[(2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]-, cis-
  • Cyclohexanecarboxylic acid, 4-[[[1-[3-[(2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]-, [4(S)-cis]-
  • cis-4-[[[1-[(2S)-3-[(2,3-Dihydro-1H-inden-5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid
  • Candoxatril
  • UK 79300

Deleted or Replaced CAS Registry Numbers

131258-03-2

CAS INSIGHTSTM
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