6-OXODOCETAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H51NO14
Molecular Weight	805.8633
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)C(=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6

InChI

InChIKey=ZOLQDWANVNOXBK-YYCGEXIESA-N

InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

6-OXODOCETAXEL

Common Name

English

10-DEOXY-10-OXODOCETAXEL

Common Name

English

DOCETAXEL TRIHYDRATE IMPURITY B [EP IMPURITY]

Common Name

English

DOCETAXEL IMPURITY B

Common Name

English

5.BETA.,20-EPOXY-1,7.BETA.-DIHYDROXY-9,10-DIOXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE)

Common Name

English

Code System Code Type Description

FDA UNII

VB305F5FMZ

Created by admin on Fri Dec 15 16:54:07 GMT 2023 , Edited by admin on Fri Dec 15 16:54:07 GMT 2023

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EPA CompTox

DTXSID50168225

Created by admin on Fri Dec 15 16:54:07 GMT 2023 , Edited by admin on Fri Dec 15 16:54:07 GMT 2023

PRIMARY

PUBCHEM

15200439

Created by admin on Fri Dec 15 16:54:07 GMT 2023 , Edited by admin on Fri Dec 15 16:54:07 GMT 2023

PRIMARY

CAS

167074-97-7

Created by admin on Fri Dec 15 16:54:07 GMT 2023 , Edited by admin on Fri Dec 15 16:54:07 GMT 2023

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SUBSTANCE RECORD


					VB305F5FMZ

6-OXODOCETAXEL