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Substance Name: 1-((4-Chlorophenyl)methyl)-3-(1,1-(dimethylethyl)thio)-a,a-dimethyl-5-(1-methylehtyl)-1H-indole-2-propanoic acid sodium salt monohydrate
RN: 1049737-88-3
UNII: H539088K42
InChIKey: APMAGPLTTCSTMM-UHFFFAOYSA-M

Molecular Formula

  • C27-H33-Cl-N-O2-S.Na.H2-O

Molecular Weight

  • 512.0865
 
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Names and Synonyms

Name of Substance

  • 1-((4-Chlorophenyl)methyl)-3-(1,1-(dimethylethyl)thio)-a,a-dimethyl-5-(1-methylehtyl)-1H-indole-2-propanoic acid sodium salt monohydrate

Synonyms

  • 1-((4-Chlorophenyl)methyl)-3-(1,1-(dimethylethyl)thio)-a,a-dimethyl-5-(1-methylehtyl)-1H-indole-2-propanoic acid sodium salt monohydrate
  • 1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (1:1:1)
  • MK-886 sodium salt hydrate
  • MK-886 sodium salt monohydrate
  • MK886 sodium monohydrate
  • UNII-H539088K42

Registry Numbers

CAS Registry Number

  • 1049737-88-3

FDA UNII

  • H539088K42

System Generated Number

  • 1049737883

Structure Descriptors

InChI

1S/C27H34ClNO2S.Na.H2O/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18;;/h8-14,17H,15-16H2,1-7H3,(H,30,31);;1H2/q;+1;/p-1

InChIKey

APMAGPLTTCSTMM-UHFFFAOYSA-M

Smiles

O.[Na+].CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc3ccc(Cl)cc3