Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01011)
Name	Docetaxel
Synonyms	Click to Show/Hide the Synonyms of This API docetaxel; Taxotere; 114977-28-5; Docetaxel anhydrous; Docetaxol; RP-56976; EmDOC; RP 56976; NSC 628503; N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; UNII-699121PHCA; TXL; Taxotere (TN); MFCD00800737; N-debenzoyl-N-Boc-10-deacetyl taxol; Docetaxolum; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol; CHEBI:4672; 699121PHCA; Docetaxel, 98%; NSC628503; NSC-628503; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel; DSSTox_CID_20464; DSSTox_RID_79497; DSSTox_GSID_40464; (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; Docetaxel, Trihydrate; Taxoel; Taxotere(R); Docetaxel Winthrop; Docetaxel [INN]; (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; (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; CAS-114977-28-5; Docetaxolum [INN-Latin]; Docecad; Docefrez; docetaxel 114977-28-5; HSDB 6965; XRP-6976L; ANX-514; SDP-014; SID 530; Docetaxel (TN); NCGC00181306-01; NCGC00181306-02; 5?,20-Epoxy-1,7?,10?-trihydroxy-9-oxotax-11-ene-2?,4,13?-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate]; Taxotere (Aventis); CID148124; Docetaxel - Taxotere; bind-014; Docetaxel (JAN/INN); CHEMBL92; SCHEMBL4419; docetaxel anhydrous derivatives; GTPL6809; DTXSID0040464; BDBM36351; SYP-0704A; ZDZOTLJHXYCWBA-VCVYQWHSSA-; AMY4356; 114977-28-5, Docetaxel; HMS2089K08; EX-A1206; HY-B0011; Tox21_112781; Tox21_113088; AC-383; CD0182; ZINC85537053; AKOS015960718; AKOS024457953; Tox21_112781_1; CS-1144; DB01248; KS-1452; MCULE-1930158681; ISOCYANATOETHYLMETHACRYLATEPOLYMER; Docetaxel, purum, >=97.0% (HPLC); NCGC00181306-04; NCGC00242509-01; 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-, 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; AB0072965; D4102; C11231; D07866; W-1428; AB01273941-01; AB01273941-02; Q420436; SR-01000003023; W-60384; Q-100074; SR-01000003023-5; BRD-K30577245-001-04-3; BRD-K30577245-341-01-9; Z1551429742; Anhydrous Docetaxel, European Pharmacopoeia (EP) Reference Standard; (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; (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; [(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; [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; 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,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)
Clinical Status	Approved
PubChem CID	148124
Formula	C43H53NO14
Canonical 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
InChI	1S/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
InChIKey	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=148124"></iframe>
Structure	3D MOL is unavailable		2D MOL
Physicochemical Properties	Molecular Weight	807.9	Topological Polar Surface Area	224
	XlogP	1.6	Complexity	1660
	Heavy Atom Count	58	Rotatable Bond Count	13
	Hydrogen Bond Donor Count	5	Hydrogen Bond Acceptor Count	14

Full List of Drug Formulations (DFMs) Containing This API
Docetaxel 20mg/2ml injectable			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Polysorbate 80; Citric Acid Monohydrate; Dehydrated Alcohol
Dosage Form	Injectable
Company
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Polysorbate 80	DIG Info	Prostaglandin G/H synthase 1 (IC50 = 1 uM)	[1]
Docetaxel 80mg/4ml injectable			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Polysorbate 80; Dehydrated Alcohol Solution
Dosage Form	Injectable
Company	Sanofi Aventis Us
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Polysorbate 80	DIG Info	Prostaglandin G/H synthase 1 (IC50 = 1 uM)	[1]
Docetaxel 160mg/8ml injectable			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Polysorbate 80; Dehydrated Alcohol Solution
Dosage Form	Injectable
Company	Jiangsu Hengrui Medicine Co. Ltd.
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Polysorbate 80	DIG Info	Prostaglandin G/H synthase 1 (IC50 = 1 uM)	[1]

References
1	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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