7-Troc-Paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H52Cl3NO16
Molecular Weight	1029.304
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=ARZHVJDHKCYODM-MUQZGBOESA-N

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

HIDE SMILES / InChI

Molecular Formula	C50H52Cl3NO16
Molecular Weight	1029.304
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:18:31 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:31 GMT 2025`
Record UNII	F4Z2SDM3FT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Troc-Paclitaxel

Common Name

English

7-(2,2,2-Trichloroethyloxycarbonyl)taxol

Preferred Name

English

Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,

Systematic Name

English

Code System Code Type Description

PUBCHEM

10931120

Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025

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CAS

114915-17-2

Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025

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FDA UNII

F4Z2SDM3FT

Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025

PRIMARY