Chemical Compound

docetaxel

CAS Registry Number 114977-28-5
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docetaxel chemical structure
Primary Record

docetaxel

In stock
9,522 g
Purity
98.9 %
CAS
114977-28-5

Compound Identifiers & Properties

CAS
114977-28-5
PubChem CID
148124
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

Names & Synonyms

  • docetaxel
  • Taxotere
  • Docetaxel anhydrous
  • Docetaxol
  • 114977-28-5
  • Docetaxel Kabi
  • Docefrez
  • taxotel
  • Docetaxel Winthrop
  • Docetaxolum
  • Taxoel
  • Docetaxel Teva
  • docetaxelum
  • docetere
  • Docetaxel Accord
  • Docetaxel [INN]
  • Docecad
  • EmDOC
  • Taxceus
  • Docetaxel?
  • Docetaxel, Trihydrate
  • Taxotere®
  • Docetaxel hydrate
  • Taxotere (TN)
  • DOCETAXEL MYLAN
  • Docetaxel, anhydrous
  • Taxotere(R)
  • BEIZRAY
  • Anhydrous Docetaxel
  • Docetaxel (INN)
  • Taxotere (Aventis)
  • Docetaxel(anhydrous)
  • DOCIVYX
  • Docetaxel (Standard)
  • Docetaxel (Taxotere)
  • Docetaxel - Taxotere
  • Docetaxel intermediate
  • Docetaxel (anhydrous)
  • Docetaxolum [INN-Latin]
  • DOCETAXEL TEVA PHARMA
  • RefChem:5772
  • bind-014
  • Docetaxel (JAN/INN)
  • Anhydrous Docetaxel CRS
  • DOCETAXEL [JAN]
  • DOCETAXEL [MI]
  • AC1L3WHJ
  • CHEMBL92
  • DOCETAXEL [HSDB]
  • BIND 014
  • Docetaxel (as trihydrate)
  • DTXSID0040464
  • RP-56976
  • D0O5WP
  • Taxotere/Docetaxel Winthrop
  • UNII-699121PHCA
  • CKD-810
  • SCHEMBL4419
  • SID 530
  • XRP6976
  • CHEBI:4672
  • NSC-628503
  • 699121PHCA
  • docetaxel 114977-28-5
  • DTXCID8020464
  • HSDB 6965
  • XRP-6976L
  • RP 56976
  • ANX-514
  • Docetaxel - Bio-X trade mark
  • SDP-014
  • MFCD00871399
  • ZDZOTLJHXYCWBA-VCVYQWHSSA-N
  • C43H53NO14
  • GTPL6809
  • orb1309994
  • BIND 014 [WHO-DD]
  • NSC 628503
  • BDBM36351
  • HY-B0011R
  • RP56976
  • SYP-0704A
  • ZDZOTLJHXYCWBA-VCVYQWHSSA-
  • AMY4356
  • L01CD02
  • CID148124
  • MFCD00800737
  • NSC628503
  • 114977-28-5, Docetaxel
  • 15H5577CQD
  • HMS2089K08
  • N-debenzoyl-N-Boc-10-deacetyl taxol
  • DOCETAXEL (REFERENCE GRADE)
  • EX-A1206
  • HY-B0011
  • MSK10863
  • Tox21_112781
  • Tox21_113088
  • AC-383
  • CD-195
  • CD0182
  • EBC-11238
  • N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol
  • NP3347
  • ZINC85537053
  • AKOS015960718
  • AKOS024457953
  • C43-H53-N-O14
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
  • Tox21_112781_1
  • ACN-032460
  • CABAZITAXEL METABOLITE (RP56976)
  • CS-1144
  • CS-O-11300
  • DB01248
  • FD10817
  • KS-1452
  • RL00579
  • ISOCYANATOETHYLMETHACRYLATEPOLYMER
  • Docetaxel, purum, >=97.0% (HPLC)
  • NCGC00181306-01
  • NCGC00181306-02
  • NCGC00181306-04
  • NCGC00242509-01
  • BC204088
  • BD164373
  • SC-16998
  • SY016927
  • AB0072965
  • J314.049K
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
  • A4394
  • CAS-114977-28-5
  • D4102
  • FT-0625558
  • FT-0776392
  • NS00006849
  • TXL
  • C11231
  • D07866
  • EN300-123047
  • W-1428
  • AB01273941-01
  • AB01273941-02
  • A852679
  • N Debenzoyl N tert butoxycarbonyl 10 deacetyltaxol
  • Q420436
  • SR-01000003023
  • W-60384
  • 125354-16-7
  • SR-01000003023-5
  • BRD-K30577245-001-04-3
  • BRD-K30577245-341-01-9
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • Z1546621742
  • N-DEBENZOYL-N-TERT-BUTOXYCARBONYL-10-DEACETYL TAXOL
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
  • N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol; Taxotere
  • Anhydrous Docetaxel, European Pharmacopoeia (EP) Reference Standard
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
  • 114915-14-9
  • 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-ylester, (2aR-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alpha-R*,beta-S*),11-alpha,12-alpha,12a-alpha,12b-alpha))-
  • TXT
  • ,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
  • ((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoate
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-(((2R,3S)-3-(((tert-butoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.0^(3,10).0^(4,7))heptadec-13-en-2-yl benzoate
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-(((2R,3S)-3-(((tert-butoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl benzoate
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (1S,2S,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-(((2R,3S)-3-(((tert-butoxy)(hydroxy)methylidene)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.0^(3,10).0^(4,7))heptadec-13-en-2-yl benzoate
  • (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
  • (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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10
  • (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
  • (2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic acid 1,7beta,10beta-trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • (2R,3S)-3-(tert-Butyloxycarbonylamino)-2-hydroxy-3-phenylpropionic acid (1S,2S,3R,4S,5R,7S,8S,10R,13S)-4-acetoxy-2-(benzoyloxy)-5,4-(epoxymethano)-1,7,10-trihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.03,8]pentadecane-11-ene-13-yl ester
  • (2R,3S)-N-CARBOXY-3-PHENYLISOSERINE, N-TERT-BUTYL ESTER, 13-ESTER WITH 5.BETA.,20-EPOXY-1,2.ALPHA.,4,7.BETA.,10.BETA.,13.ALPHA.-HEXAHYDROXYTAX-11-EN-9-ONE 4-ACETATE 2-BENZOATE
  • (alphaR,betaS)-beta-(tert-Butoxycarbonylamino)-alpha-hydroxybenzenepropanoic acid [(2aR,11S)-12bbeta-(acetyloxy)-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,6alpha,11-trihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetoxy-15-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • [2aR-[2a?,4?,4a?,6?,9?(?R*,?S*),11?,12?,12a?,12b?]]-?-[[(1,1-Dimethylethoxy)carbonyl]amino]-?-hydroxy-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester benzenepropanoic acid
  • [acetoxy-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-trihydroxy-tetramethyl-oxo-[?]yl] benzoate
  • 114915-20-7
  • 4-(Acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
  • 601-339-2
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; Docetaxel; Docetaxol; Docetere; Duopafei; N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; RP 56976; SID 530; Taxotel; Taxotere; Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-; 5beta,20-Epoxy-1,7beta,10beta-trihydroxy-9-oxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate]; Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-
  • 9-Oxo-5beta,20-epoxytaxa-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionate]
  • 9-Oxo-5beta,20-epoxytaxa-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(tert-butyloxycarbonylamino)-3-phenylpropionate]
  • Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aR,6R,9S,11S,12S,12aS,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,4a,6,11-tetrahydroxy-8,12a,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR)-, hydrate (1:3)
  • Benzenepropanoic acid,1-dimethylethoxy)carbonyl]amino]-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (.alpha.R,.beta.S)
  • InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,5