Tesetaxel

CAS Registry Number®

333754-36-2

CAS Name

Tesetaxel

Molecular Formula

C46H60FN3O13

Molecular Mass

881.98

Cite this Page

Tesetaxel.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333754-36-2 (retrieved 2024-11-24) (CAS RN: 333754-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147-149 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1

InChIKey

InChIKey=MODVSQKJJIBWPZ-VLLPJHQWSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@](C)([C@]4([C@@](C=5C(C)(C)[C@](O)([C@H]3OC(=O)C6=CC=CC=C6)C[C@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C7=C(F)C=CC=N7)O)=O)C5C)(O[C@@H](CN(C)C)O4)[H])[H])CC[C@]1(OC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)NC(C1=NC=CC=C1F)C(O)C(=O)OC2C(=C3C4OC(OC4C5(C)CCC6OCC6(OC(=O)C)C5C(OC(=O)C=7C=CC=CC7)C(O)(C2)C3(C)C)CN(C)C)C

Other Names for this Substance

  • 2-Pyridinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(acetyloxy)-3-(benzoyloxy)-10-[(dimethylamino)methyl]-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-4-hydroxy-7,11b,14,14-tetramethyl-4,8-methano-2H-oxeto[3′′,2′′:3′,4′]benzo[1′,2′:3,4]cyclodeca[1,2-d][1,3]dioxol-6-yl ester, (αR,βS)-
  • DJ 927
  • Tesetaxel

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