Zotarolimus

CAS Registry Number®

221877-54-9
No image available.

CAS Name

Zotarolimus

Molecular Formula

C52H79N5O12

Molecular Mass

966.21

Cite this Page

Zotarolimus.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=221877-54-9 (retrieved 2024-04-19) (CAS RN: 221877-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12-,32-17+,36-25-/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1

InChIKey

InChIKey=CGTADGCBEXYWNE-XBZOQBKLSA-N

SMILES

O(C)[C@H]1[C@H](CC[C@@H](C[C@@H](C)[C@]2(OC(=O)[C@]3(N(C(=O)C(=O)[C@]4(O)O[C@](C[C@H](OC)/C(/C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(/C)=C\[C@@H](C)C(=O)C2)(CC[C@H]4C)[H])CCCC3)[H])[H])C1)N5C=NN=N5

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(N5N=NN=C5)C(OC)C4

Other Names for this Substance

  • Rapamycin, 42-deoxy-42-(1H-tetrazol-1-yl)-, (42S)-
  • (42S)-42-Deoxy-42-(1H-tetrazol-1-yl)rapamycin
  • A 179578
  • ABT 578
  • Zotarolimus

View All

Deleted or Replaced CAS Registry Numbers

916135-04-1

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser