无水多西紫杉醇

Description

Docetaxel Anhydrous · CAS 114977-28-5 · C43H53NO14. UNII 699121PHCA. Melting Point: 232; Melting Point: 232 °C; Solubility: 1.27e-02 g/L.

Identification

CAS Registry Number	114977-28-5
PubChem CID	148124
Molecular formula	C43H53NO14
IUPAC name	[(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
UNII (FDA)	699121PHCA

Computed Descriptors

Molecular Weight	807.9
XLogP3	1.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	13
Exact Mass	807.34660536
Monoisotopic Mass	807.34660536
Topological Polar Surface Area	224
Heavy Atom Count	58
Formal Charge	0

Physical & Chemical Properties

Melting Point	232
Melting Point	232 °C
Solubility	1.27e-02 g/L
LogP	2.4
LogP	3.4

Physical description & handling notes

• Solid
• Insoluble
• Specific optical rotation: - 36 deg (c = 0.74 in ethanol)
• White to almost white powder. Highly lipophilic. Practically insoluble in water /Docetaxel trihydrate/
• Table: Docetaxel Preparations [Table#6526]

GHS Hazard Classification

Reported hazard statements	H315 (14.3%), H319 (64.3%), H341 (85.7%), H351 (21.4%), H360 (35.7%), H361 (42.9%), H362 (35.7%), H372 (57.1%)

Documented Uses

• Antineoplastic Agents; Tubulin Modulators
• Use (kg; approx.) in Germany (2009): >10
• Consumption (g per capita; approx.) in Germany (2009): 0.000122
• Consumption (g per capita) in the USA (2002): 4.32e-05
• Semisynthetic derivative of paclitaxel, q.v., prepared using a natural precursor, 10-deacetylbaccatin III, extracted from the needles of the European yew tree, Taxus baccata L., Taxaceae.
• Preparation: M. Colins et al., European Patent Office patent 253738; eidem, United States of America patent 4814470 (1988, 1989 both to Rhone-Poulenc Sante);

Synonyms

docetaxel; 114977-28-5; Taxotere; Docetaxel anhydrous; Docetaxel Kabi; Docetaxel Winthrop; Docefrez; DOCETAXEL MYLAN; RP-56976; NSC-628503; DTXSID0040464; Docetaxel Teva; Docetaxel Accord; DOCETAXEL TEVA PHARMA; BEIZRAY; BIND 014

Frequently Asked Questions

What are the CAS number and molecular formula of Docetaxel Anhydrous?

CAS 114977-28-5; molecular formula C43H53NO14; molecular weight — g/mol.

What other names is Docetaxel Anhydrous known by?

docetaxel, 114977-28-5, Taxotere, Docetaxel anhydrous, Docetaxel Kabi, Docetaxel Winthrop.

Is Docetaxel Anhydrous classified as hazardous?

Hazard statements reported: H315, H319, H341, H351, H360.

What are the key physical properties of Docetaxel Anhydrous?

Melting Point: 232; Melting Point: 232 °C; Solubility: 1.27e-02 g/L; LogP: 2.4.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.