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Name:Docetaxel
PubChem ID:148124
Pathway:Show KEGG pathways
InChI: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,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1/f/h44H
SMILES:CC=1[C@@H](C[C@]2([C@@H]([C@@H]3[C@@](C)([C@@H](C[C@@H]4[C@@]3(CO4)OC(C)=O)O)C([C@@H](C1C2(C)C)O)=O)OC(c1ccccc1)=O)O)OC([C@H]([C@@H](c1ccccc1)NC(=O)OC(C)(C)C)O)=O

Properties:
Formula:C43H53NO14Atoms:66
Molecular Weight:807.879Rotatable Bonds:14
H-bond Acceptors:15H-bond Donors:0
logP:3.6505
Targets:
Synonyms:
(2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-bu
(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
01885_FLUKA
114977-28-5
ANX-514
C11231
CHEBI:4672
DB01248
Docetaxel
Docetaxel (INN)
Docetaxel (TN)
Docetaxel anhydrous
Docetaxel, Trihydrate
Docetaxol
EmDOC
nchembio.2007.34-comp7
nchembio853-comp8
NSC-628503
RP-56976
SDP-014
SL-00678
TAXOTERE
Taxotere (TN)
Taxotere(R)
TXL
XRP-6976L
ATC-Codes: