Candoxatril

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Systematic / IUPAC Name: 4-{[(1-{(2S)-3-(2,3-Dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid

ID: Reference2952

Other Names:

Formula: C29H41NO7

Class: Therapeutics/Prescription Drugs

Spectral Data

Candoxatril mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 388
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/29/2015 9:08:28 AM
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Identificators

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
InChI Key ZTWZVMIYIIVABD-RZMWZJFBSA-N
Canonical SMILES COCCOCC(CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)OC3=CC4=C(CCC4)C=C3
CAS 123122554
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Other Names

In Other Databases

ChemIDPlus 123122554
KEGG D01070
Wikipedia Candoxatril
PubChem 5362417
ChemSpider 4515031