Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Dioxane-4-acetic acid, 6-(2-(2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
RN: 125971-95-1
UNII: 0PTA8HGH1F
InChIKey: NPPZOMYSGNZDKY-ROJLCIKYSA-N

Molecular Weight

  • 654.8183
 
* 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

  • 1,3-Dioxane-4-acetic acid, 6-(2-(2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

Synonyms

  • EC 700-258-0
  • UNII-0PTA8HGH1F

Systematic Name

  • (4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 125971-95-1

FDA UNII

  • 0PTA8HGH1F

System Generated Number

  • 0125971951

Structure Descriptors

InChI

1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1

InChIKey

NPPZOMYSGNZDKY-ROJLCIKYSA-N

Smiles

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5