Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: ((Azidophenyl)ureido)taxoid
RN: 155144-12-0
InChIKey: HGBRVZBEEARCNW-JBTWBBNCSA-N

Note

  • A photoaffinity probe for the taxoid binding site on microtubules.

Molecular Formula

  • C48-H53-N5-O14

Molecular Weight

  • 923.9677
 
* 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

  • ((Azidophenyl)ureido)taxoid

Synonyms

  • 6,12b-Bis(acetyloxy)-12(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl beta-((((4-azidophenyl)methylamino)carbonyl)amino)-alpha-hydroxybenzenepropanoate (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-
  • Taxapu

Systematic Name

  • Benzenepropanoic acid, beta-((((4-azidophenyl)methylamino)carbonyl)amino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-

Registry Numbers

CAS Registry Number

  • 155144-12-0

System Generated Number

  • 0155144120

Structure Descriptors

InChI

1S/C48H53N5O14/c1-25-32(65-43(60)37(57)36(28-14-10-8-11-15-28)50-44(61)53(7)31-20-18-30(19-21-31)51-52-49)23-48(62)41(66-42(59)29-16-12-9-13-17-29)39-46(6,33(56)22-34-47(39,24-63-34)67-27(3)55)40(58)38(64-26(2)54)35(25)45(48,4)5/h8-21,32-34,36-39,41,56-57,62H,22-24H2,1-7H3,(H,50,61)/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1

InChIKey

HGBRVZBEEARCNW-JBTWBBNCSA-N

Smiles

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)N(C)c6ccc(cc6)N=[N+]=[N-])O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C