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Substance Name: KW 4099
RN: 141364-05-8
InChIKey: FOJFFNXERATJEW-UHFFFAOYSA-M

Note

  • Thromboxane A2 antagonist.

Molecular Weight

  • 495.616
 
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Names and Synonyms

Name of Substance

  • KW 4099

Synonyms

  • 11-(2-(4-Benzyl-1-piperidinyl)ethyl)thio-6,11-dihydrodibenz(b,e)oxepine-2-carboxylate
  • KW-4099

Systematic Name

  • Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(4-(phenylmethyl)-1-piperidinyl)ethyl)thio)-, sodium salt, (+-)-

Registry Numbers

CAS Registry Number

  • 141364-05-8

System Generated Number

  • 0141364058

Structure Descriptors

InChI

1S/C29H31NO3S.Na/c31-29(32)23-10-11-27-26(19-23)28(25-9-5-4-8-24(25)20-33-27)34-17-16-30-14-12-22(13-15-30)18-21-6-2-1-3-7-21;/h1-11,19,22,28H,12-18,20H2,(H,31,32);/q;+1/p-1

InChIKey

FOJFFNXERATJEW-UHFFFAOYSA-M

Smiles

[Na+].O1c2c([C@@H](c3c(C1)cccc3)SCCN1CCC(CC1)Cc1ccccc1)cc(cc2)C(=O)[O-]