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Paclitaxel (Taxol)

CAT: 0607-A4393-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A4393-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antineoplastic agent
CAS Number
33069-62-4
Sequence
Taxol
Field of Research
Ubiquitination Proteasome Autophagy Cell Cycle Checkpoint Microtubule Tubulin Cell Cycle Checkpoint Mitotic
Purity
0.9992
Form
A solid
Solubility
≥85.6 mg/mL in DMSO; insoluble in H2O; ≥31.6 mg/mL in EtOH with ultrasonic
Smiles
O=C(N[C@H]([C@H](C(O[C@H]1C[C@]2(O)C(C)(C)C([C@@H](OC(C)=O)C([C@@]3(C)[C@]([C@@](CO4)(OC(C)=O)[C@H]4C[C@@H]3O)([H])[C@@H]2OC(C5=CC=CC=C5)=O)=O)=C1C)=O)O)C6=CC=CC=C6)C7=CC=CC=C7
Molecular Formula
C47H51NO14
Molecular Weight
853.91
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Paclitaxel

Paclitaxel can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.

CAS Number33069-62-4
PubChem CID36314
IUPAC Name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular FormulaC47H51NO14
Molecular Weight853.9
XLogP2.5
Topological Polar Surface Area221
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count62
Formal Charge0
Complexity1790
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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
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
RCINICONZNJXQF-MZXODVADSA-N
Chemical Structure
2D Structure
2D structure of Paclitaxel
CAS: 33069-62-4
CID: 36314
Formula: C47H51NO14
MW: 853.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight853.9
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass853.33095530
Monoisotopic Mass853.33095530
Topological Polar Surface Area221 Ų
Heavy Atom Count62
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A10689-100Paclitaxel (Taxol) 100mg
A10689-25Paclitaxel (Taxol) 25mg
A10689-50Paclitaxel (Taxol) 50mg
A10689-1000Paclitaxel (Taxol) 1g
A10689-500Paclitaxel (Taxol) 500mg
A10689-10Paclitaxel (Taxol) 10mg
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