Biolimus A9

CAS Registry Number®

851536-75-9
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CAS Name

Biolimus A9

Molecular Formula

C55H87NO14

Molecular Mass

986.28

Cite this Page

Biolimus A9.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=851536-75-9 (retrieved 2024-04-19) (CAS RN: 851536-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H87NO14/c1-12-67-26-27-68-45-24-22-41(31-48(45)65-10)30-37(5)47-33-44(57)36(4)29-39(7)50(59)51(66-11)49(58)38(6)28-34(2)18-14-13-15-19-35(3)46(64-9)32-42-23-21-40(8)55(63,70-42)52(60)53(61)56-25-17-16-20-43(56)54(62)69-47/h13-15,18-19,29,34,36-38,40-43,45-48,50-51,59,63H,12,16-17,20-28,30-33H2,1-11H3/b15-13+,18-14-,35-19+,39-29-/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,55-/m1/s1

InChIKey

InChIKey=YYSFXUWWPNHNAZ-FGOOKSOFSA-N

SMILES

O=C1N2[C@](C(=O)O[C@]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCOCC)CC3)C)(CC(=O)[C@H](C)/C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C/C=C(\C)/[C@@H](OC)C[C@]4(O[C@@](O)(C1=O)[C@H](C)CC4)[H])[H])(CCCC2)[H]

Canonical SMILES

O=C1OC(CC(=O)C(C=C(C)C(O)C(OC)C(=O)C(C)CC(C=CC=CC=C(C)C(OC)CC2OC(O)(C(=O)C(=O)N3CCCCC13)C(C)CC2)C)C)C(C)CC4CCC(OCCOCC)C(OC)C4

Other Names for this Substance

  • Rapamycin, 42-O-(2-ethoxyethyl)-
  • 42-O-(2-Ethoxyethyl)rapamycin
  • Biolimus A9
  • 40-O-(2-Ethoxyethyl)rapamycin
  • Ba 9

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Deleted or Replaced CAS Registry Numbers

944472-64-4

CAS INSIGHTSTM
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