Temsirolimus

CAS Registry Number®

162635-04-3
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CAS Name

Temsirolimus

Molecular Formula

C56H87NO16

Molecular Mass

1030.29

Cite this Page

Temsirolimus.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=162635-04-3 (retrieved 2024-04-20) (CAS RN: 162635-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13-,34-18+,38-26-/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

InChIKey

InChIKey=CBPNZQVSJQDFBE-UWTRLGQTSA-N

SMILES

O=C1N2[C@](C(=O)O[C@]([C@@H](C[C@H]3C[C@@H](OC)[C@H](OC(C(CO)(CO)C)=O)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(OC(=O)C(C)(CO)CO)C(OC)C4

Other Names for this Substance

  • Rapamycin, 42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate]
  • CCI 779
  • Temsirolimus
  • WAY-CCI 779
  • Torisel

View All

Deleted or Replaced CAS Registry Numbers

343261-52-9, 1034922-90-1

CAS INSIGHTSTM
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