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Substance Name: Tesetaxel [INN]
RN: 333754-36-2
UNII: UG97LO5M8Y
InChIKey: MODVSQKJJIBWPZ-VLLPJHQWSA-N

Molecular Formula

  • C46-H60-F-N3-O13

Molecular Weight

  • 881.986
 
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Names and Synonyms

Name of Substance

  • DJ927
  • Tesetaxel [INN]

Synonyms

  • DJ 927
  • DJ-927
  • Tesetaxel
  • UNII-UG97LO5M8Y

Systematic Name

  • 2-Pyridinepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-3-fluoro-alpha-hydroxy-, (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(acetyloxy)-3-(benzoyloxy)-10-((dimethylamino)methyl)-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-4-hydroxy-7,11b,14,14-tetramethyl-4,8-methano-2H-oxeto(3'',2'':3',4')benzo(1',2':3,4)cyclodeca(1,2-d)(1,3)dioxol-6-yl ester, (alphaR,betaS)-

Registry Numbers

CAS Registry Number

  • 333754-36-2

FDA UNII

  • UG97LO5M8Y

System Generated Number

  • 0333754362

Structure Descriptors

InChI

1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1

InChIKey

MODVSQKJJIBWPZ-VLLPJHQWSA-N

Smiles

CN(C)C[C@@H]1O[C@H]2[C@@H](O1)[C@]3(C)CC[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ncccc7F)C(=C2C6(C)C)C