Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6,3'-p-Dihydroxypaclitaxel
RN: 157230-10-9
InChIKey: NEGGNAWLXHJUEM-FJMWQILYSA-N

Note

  • Metabolite of paclitaxel.

Molecular Formula

  • C47-H51-N-O16

Molecular Weight

  • 885.911
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 6,3'-p-Dihydroxypaclitaxel

Systematic Name

  • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,3alpha,4beta,4abeta,6beta,

Registry Numbers

CAS Registry Number

  • 157230-10-9

System Generated Number

  • 0157230109

Structure Descriptors

InChI

1S/C47H51NO16/c1-23-30(62-43(58)33(52)32(26-17-19-29(51)20-18-26)48-41(56)27-13-9-7-10-14-27)21-47(59)40(63-42(57)28-15-11-8-12-16-28)36-45(6,38(55)35(61-24(2)49)31(23)44(47,4)5)37(54)34(53)39-46(36,22-60-39)64-25(3)50/h7-20,30,32-37,39-40,51-54,59H,21-22H2,1-6H3,(H,48,56)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1

InChIKey

NEGGNAWLXHJUEM-FJMWQILYSA-N

Smiles

c1(C(N[C@@H](c2ccc(cc2)O)[C@H](C(O[C@H]2C[C@@]3([C@H]([C@H]4[C@@](C([C@@H](C(=C2C)C3(C)C)OC(C)=O)=O)([C@H]([C@@H]([C@@H]2[C@@]4(CO2)OC(C)=O)O)O)C)OC(c2ccccc2)=O)O)=O)O)=O)ccccc1