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Substance Name: Retosiban [USAN:INN]
RN: 820957-38-8
UNII: GIE06H28OX
InChIKey: PLVGDGRBPMVYPB-FDUHJNRSSA-N

Note

  • Highly selective oxytocin receptor antagonist.

Classification Code

  • Oxytocin Receptor Antagonist for Delaying Preterm Birth

Molecular Formula

  • C27-H34-N4-O5

Molecular Weight

  • 494.5886
 
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Names and Synonyms

Name of Substance

  • Retosiban [USAN:INN]

Synonyms

  • (3R,6R)-6-((2S)-Butan-2-yl)-3-(2,3-dihydro-1H-inden-2-yl)-1-((1R)-1-(2-methyl- 1,3-oxazol-4-yl)-2-(morpholin-4-yl)-2-oxoethyl)piperazine-2,5-dione
  • GSK 221149A
  • GSK221149
  • GSK221149A
  • Retosiban
  • UNII-GIE06H28OX

Systematic Name

  • Morpholine, 4-((2R)-((3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-((1S)-1- methylpropyl)-2,5-dioxo-1-piperazinyl)(2-methyl-4-oxazolyl)acetyl)-

Registry Numbers

CAS Registry Number

  • 820957-38-8

FDA UNII

  • GIE06H28OX

System Generated Number

  • 0820957388

Structure Descriptors

InChI

1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1

InChIKey

PLVGDGRBPMVYPB-FDUHJNRSSA-N

Smiles

N1[C@@H](C(=O)N([C@@H](C1=O)[C@H](CC)C)[C@H](c1nc(oc1)C)C(=O)N1CCOCC1)[C@H]1Cc2c(C1)cccc2