Paclitaxel[紫杉醇]

CAS:33069-62-4

SKU： NCC.33069.62.4 分类： ,
保证安全结账

CAS Registry Number®

33069-62-4

CAS Name

Paclitaxel

Molecular Formula

C47H51NO14

Molecular Mass

853.91

Compound Properties

  • Melting Point (1)

    213-216 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey

InChIKey=RCINICONZNJXQF-MZXODVADSA-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(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O)=O)C5)[H]

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C(O)C(NC(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC1(O)C4(C)C)C)C=7C=CC=CC7

Other Names for this Substance

  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
  • Tax-11-en-9-one, 5β,20-epoxy-1,2α,4,7β,10β,13α-hexahydroxy-, 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine
  • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-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]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
  • Taxol
  • NSC 125973
  • Taxol A
  • Paclitaxel
  • BMS 181339-01
  • Yewtaxan
  • Plaxicel
  • ABI 007
  • TaxAlbin
  • QW 8184
  • Ebetaxel
  • Capxol
  • MBT 0206
  • Abraxane
  • Genexol-PM
  • Pacliex
  • Genexol
  • Genetaxyl
  • NK 105
  • Mitotax
  • OncoGel
  • Onxal
  • DHP 107
  • EndoTAG 1
  • Genaxol
  • Intaxel
  • Taxus
  • TAXUS stent
  • (-)-Paclitaxel
  • Taxus Liberte
  • EmPAC
  • Tocosol Paclitaxel
  • Cyclopax
  • Zisu
  • LEP-ETU
  • Liposome-entrapped paclitaxel easy-to-use
  • Paxene
  • Infinnium
  • Padexol
  • Sindaxel
  • Nanoxel
  • 5β,20-Epoxy-1,2a,4,7β,10β,13α-hexahydroxy-tax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine
  • PTX
  • Cypher select
  • Coroflex Please
  • Nab-paclitaxel
  • TAXUS Express
  • IG 001
  • Cynviloq
  • IG 002
  • Nanotax
  • Pacitaxel
  • Cremophor-free paclitaxel
  • Oraxol
  • Anzatax
  • Pazenir
  • Apealea

Deleted or Replaced CAS Registry Numbers

157069-30-2, 1203669-79-7, 2376186-34-2

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