(2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benz oate | CAS No. 114915-17-2

(2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benz oate

Basic Information

CAS Number

114915-17-2

Molecular Formula

C50H52Cl3NO16

Molecular Weight

1029.32 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (7.8E-6 g/L) (25 ºC),

O=C(c1ccccc1)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@@H]5C(=C4/[C@@H](OC(=O)C)C(=O)[C@]7([C@H]([C@H](OC(=O)c3ccccc3)[C@@](O)(C4(C)C)C5)[C@@]6(OC(=O)C)[C@H](OC6)C[C@@H]7OC(=O)OCC(Cl)(Cl)Cl)C)/C

InChI

InChI=1S/C50H52Cl3NO16/c1-26-32(67-44(61)37(57)36(29-16-10-7-11-17-29)54-42(59)30-18-12-8-13-19-30)23-49(63)41(69-43(60)31-20-14-9-15-21-31)39-47(6,40(58)38(66-27(2)55)35(26)46(49,4)5)33(68-45(62)65-25-50(51,52)53)22-34-48(39,24-64-34)70-28(3)56/h7-21,32-34,36-39,41,57,63H,22-25H2,1-6H3,(H,54,59)/t32-,33-,34+,36-,37+,38+,39-,41-,47+,48-,49+/m0/s1

InChIKey

ARZHVJDHKCYODM-MUQZGBOESA-N

LogP

6.266800000000007

Topological Polar Surface Area

236.58999999999992 Ų

Hydrogen Bond Donor/Acceptor

3 / 17

Complexity

2060

Synonyms & References

English

  • 7-Troc-Paclitaxel
  • (N-1)Paxlitaxl intermediate 2
  • 7-(2,2,2-Trichloroethyloxycarbonyl)taxol

FAQ

What is (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benzoate (CAS: 114915-17-2)?

This compound, with CAS number 114915-17-2, is a complex organic molecule with a specific stereochemistry and functional groups. It contains acetoxy, benzoylamino, and trichloroethoxy carbonyl functionalities, which are common in pharmaceutical and chemical intermediates.

What are the main uses of (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benzoate (CAS: 114915-17-2)?

This compound is primarily used as a pharmaceutical intermediate or as a research reagent due to its specific chemical structure and functional groups. It may be involved in the synthesis of more complex molecules or drug candidates.

Is (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benzoate (CAS: 114915-17-2) safe?

The safety of this compound depends on proper handling and exposure control. It should be used in a well-ventilated area, and appropriate personal protective equipment (PPE) should be worn. Exposure to the eyes, skin, or inhalation should be avoided. Storage should be in a secure, lockable container away from unauthorized personnel.

How should (2alpha,5beta,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-7-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-5,20-epoxytax-11-en-2-yl benzoate (CAS: 114915-17-2) be stored?

This compound should be stored at temperatures below 25°C and away from direct sunlight and moisture. It should be kept in a secure, lockable container to prevent unauthorized access. Adequate ventilation should be provided to avoid the accumulation of potentially harmful vapors.

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