Retapamulin

CAS Registry Number®

224452-66-8
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CAS Name

Retapamulin

Molecular Formula

C30H47NO4S

Molecular Mass

517.76

Cite this Page

Retapamulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=224452-66-8 (retrieved 2024-04-23) (CAS RN: 224452-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1

InChIKey

InChIKey=STZYTFJPGGDRJD-NHUWBDDWSA-N

SMILES

C[C@@H]1[C@]23[C@]([C@](C)([C@H](OC(CS[C@@H]4C[C@@]5(N(C)[C@](C4)(CC5)[H])[H])=O)C[C@](C=C)(C)[C@H]1O)[C@H](C)CC2)(C(=O)CC3)[H]

Canonical SMILES

O=C(OC1CC(C=C)(C)C(O)C(C)C23CCC(=O)C2C1(C)C(C)CC3)CSC4CC5N(C)C(CC5)C4

Other Names for this Substance

  • Acetic acid, 2-[[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
  • Acetic acid, [[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
  • Retapamulin
  • SB 275833
  • Mutilin 14-(exo-8-methyl-8-azabicyclo[3.2.1]oct-3-ylsulfanyl)acetate

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Deleted or Replaced CAS Registry Numbers

345632-67-9

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