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Substance Name: Ici 116258
RN: 102904-11-0
InChIKey: OCJAVPIJUPKLSM-UHFFFAOYSA-N

Molecular Formula

  • C27-H35-Cl-N2-O6

Molecular Weight

  • 519.034
 
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Names and Synonyms

Name of Substance

  • Ici 116258

Synonym

  • Ici 116,258

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, 4-(2-((2-((4-chlorobenzoyl)amino)ethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester

Registry Numbers

CAS Registry Number

  • 102904-11-0

System Generated Number

  • 0102904110

Structure Descriptors

InChI

1S/C27H35ClN2O6/c1-26(2,3)24(33)35-21-12-9-18(15-22(21)36-25(34)27(4,5)6)20(31)16-29-13-14-30-23(32)17-7-10-19(28)11-8-17/h7-12,15,20,29,31H,13-14,16H2,1-6H3,(H,30,32)

InChIKey

OCJAVPIJUPKLSM-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)[C@@H](CNCCNC(c1ccc(cc1)Cl)=O)O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O