Cabazitaxel

CAS Registry Number®

183133-96-2

CAS Name

Cabazitaxel

Molecular Formula

C45H57NO14

Molecular Mass

835.93

Cite this Page

Cabazitaxel.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=890654-44-1 (retrieved 2024-12-26) (CAS RN: 183133-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-228 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

InChIKey

InChIKey=BMQGVNUXMIRLCK-OAGWZNDDSA-N

SMILES

O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC)C(=O)[C@]3(C)[C@@H](OC)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]

Canonical SMILES

O=C(OC(C)(C)C)NC(C=1C=CC=CC1)C(O)C(=O)OC2C(=C3C(OC)C(=O)C4(C)C(OC)CC5OCC5(OC(=O)C)C4C(OC(=O)C=6C=CC=CC6)C(O)(C2)C3(C)C)C

Other Names for this Substance

  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
  • TXD 258
  • Cabazitaxel
  • XRP 6258

View All

Deleted or Replaced CAS Registry Numbers

890654-44-1, 2709036-22-4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.