Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: A-216546
RN: 223756-43-2
UNII: T82925JPLC
InChIKey: KMKKFZCVBRAWNX-KQQHTNMISA-N

Classification Code

  • Endothelin Receptor Antagonists

Molecular Formula

  • C30-H48-N2-O6.Cl-H

Molecular Weight

  • 569.1781
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • A-216546

Synonyms

  • 3-Pyrrolidinecarboxylic acid, 1-(2-(dibutylamino)-2-oxoethyl)-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-, hydrochloride (1:1), (2S,3R,4S)-
  • 3-Pyrrolidinecarboxylic acid, 1-(2-(dibutylamino)-2-oxoethyl)-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-, monohydrochloride, (2S,3R,4S)-
  • A-216546
  • UNII-T82925JPLC

Registry Numbers

CAS Registry Number

  • 223756-43-2

FDA UNII

  • T82925JPLC

System Generated Number

  • 0223756432

Structure Descriptors

InChI

1S/C30H48N2O6.ClH/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3;/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35);1H/t22-,23+,27-;/m1./s1

InChIKey

KMKKFZCVBRAWNX-KQQHTNMISA-N

Smiles

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(=O)O)c2cc3c(c(c2)OC)OCO3.Cl