Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: Benzenepropanoic acid, alpha-((2-(4-hydroxyphenyl)ethyl)thio)-4-(2-(4-((methylsulfonyl)oxy)phenoxy)ethyl)-, (-)-, compd. with 2-methyl-2-propanamine (1:1)
RN: 891182-81-3
UNII: QBU8Y6E91V
InChIKey: SEJUAWZLBOYASH-UQIIZPHYSA-N

Molecular Weight

  • 589.7701
 
* 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

  • Benzenepropanoic acid, alpha-((2-(4-hydroxyphenyl)ethyl)thio)-4-(2-(4-((methylsulfonyl)oxy)phenoxy)ethyl)-, (-)-, compd. with 2-methyl-2-propanamine (1:1)

Synonyms

  • 2-Methylpropan-2-amine (S)-2-((4-hydroxyphenethyl)thio)-3-(4-(2-(4-((methylsulfonyl)oxy)phenoxy)ethyl)phenyl)propanoate
  • Benzenepropanoic acid, alpha-((2-(4-hydroxyphenyl)ethyl)thio)-4-(2-(4-((methylsulfonyl)oxy)phenoxy)ethyl)-, compd. with 2-methyl-2-propanamine (1:1), (alphaS)-
  • UNII-QBU8Y6E91V

Registry Numbers

CAS Registry Number

  • 891182-81-3

FDA UNII

  • QBU8Y6E91V

System Generated Number

  • 0891182813

Structure Descriptors

InChI

1S/C26H28O7S2.C4H11N/c1-35(30,31)33-24-12-10-23(11-13-24)32-16-14-19-2-4-21(5-3-19)18-25(26(28)29)34-17-15-20-6-8-22(27)9-7-20;1-4(2,3)5/h2-13,25,27H,14-18H2,1H3,(H,28,29);5H2,1-3H3/t25-;/m0./s1

InChIKey

SEJUAWZLBOYASH-UQIIZPHYSA-N

Smiles

CC(C)(C)N.CS(=O)(=O)Oc1ccc(cc1)OCCc2ccc(cc2)C[C@@H](C(=O)O)SCCc3ccc(cc3)O