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Substance Name: 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2- (carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)-
RN: 157659-79-5
UNII: 0I32BCL40Z
InChIKey: UUAVCCWBNUITBB-UPRLRBBYSA-N

Note

  • An ET(A) and ET(B) endothelin receptor antagonist.

Molecular Formula

  • C29-H28-O9

Molecular Weight

  • 520.531
 
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Names and Synonyms

Name of Substance

  • 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2- (carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)-

Synonyms

  • 3-(2-(Carboxymethoxy)-4-methoxyphenyl)-1-(3,4-(methylenedioxy)phenyl)-5-(prop-1-yloxy)indan-2-carboxylic acid
  • SB 209670
  • SB-209670
  • UNII-0I32BCL40Z

Systematic Names

  • 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)-
  • 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2-(carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S-(1alpha,2beta,3alpha))-

Registry Numbers

CAS Registry Number

  • 157659-79-5

FDA UNII

  • 0I32BCL40Z

System Generated Number

  • 0157659795

Structure Descriptors

InChI

1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1

InChIKey

UUAVCCWBNUITBB-UPRLRBBYSA-N

Smiles

O1COc2c1ccc([C@@H]1[C@@H](C(O)=O)[C@H](c3ccc(cc3OCC(O)=O)OC)c3c1ccc(OCCC)c3)c2