2-O-DESBENZOYL-2-O-TIGLYLDOCETAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H55NO14
Molecular Weight	785.8737
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-O-DESBENZOYL-2-O-TIGLYLDOCETAXEL

Structure Search

SMILES

C\C=C(/C)C(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C5=CC=CC=C5)OC(C)=O

InChI

InChIKey=AOEGVETYSHPGBP-XYIDDFOTSA-N

InChI=1S/C41H55NO14/c1-11-20(2)34(48)54-33-31-39(10,25(44)17-26-40(31,19-52-26)55-22(4)43)32(47)29(45)27-21(3)24(18-41(33,51)38(27,8)9)53-35(49)30(46)28(23-15-13-12-14-16-23)42-36(50)56-37(5,6)7/h11-16,24-26,28-31,33,44-46,51H,17-19H2,1-10H3,(H,42,50)/b20-11+/t24-,25-,26+,28-,29+,30+,31-,33-,39+,40-,41+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2-O-DESBENZOYL-2-O-TIGLYLDOCETAXEL

Common Name

English

2-DEBENZOXYL 2-PENTENOYL DOCETAXEL

Preferred Name

English

5.BETA.,20-EPOXY-1,7.BETA.,10.BETA.-TRIHYDROXY-9-OXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 13-((2R,3S)-3-(((1,1DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE) 2-((2E)-2-METHYLBUT-2-ENOATE)

Common Name

English

DOCETAXEL IMPURITY, 2-DEBENZOXYL 2-PENTENOYL DOCETAXEL- [USP IMPURITY]

Common Name

English

DOCETAXEL IMPURITY A

Common Name

English

DOCETAXEL TRIHYDRATE IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

JZ14779AZJ

Created by admin on Mon Mar 31 18:37:53 GMT 2025 , Edited by admin on Mon Mar 31 18:37:53 GMT 2025

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SMS_ID

300000052999

Created by admin on Mon Mar 31 18:37:53 GMT 2025 , Edited by admin on Mon Mar 31 18:37:53 GMT 2025

PRIMARY

PUBCHEM

76972100

Created by admin on Mon Mar 31 18:37:53 GMT 2025 , Edited by admin on Mon Mar 31 18:37:53 GMT 2025

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SUBSTANCE RECORD


					JZ14779AZJ

2-O-DESBENZOYL-2-O-TIGLYLDOCETAXEL