Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Milataxel [INN]
RN: 393101-41-2
InChIKey: XIVMHSNIQAICTR-UQYHODNASA-N

Note

  • Antineoplastic agent, phytogenic.

Molecular Formula

  • C44-H55-N-O16

Molecular Weight

  • 853.9095
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • MAC321
  • Milataxel [INN]

Synonyms

  • 1,10beta-Dihydroxy-9-oxo-5beta,20-epoxy-3zeta-tax-11-ene-2alpha,4,7beta,13alpha-tetrayl 4-acetate 2-benzoate 13-((2R,3R)-3-(tert-butoxycarbonylamino)-3-(furan-2-yl)-2-hydroxypropanoate) 7-propanoate
  • MAC 321
  • MAC-321
  • Milataxel

Systematic Name

  • 2-Furanpropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaR)-

Registry Numbers

CAS Registry Number

  • 393101-41-2

System Generated Number

  • 0393101412

Structure Descriptors

InChI

1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1

InChIKey

XIVMHSNIQAICTR-UQYHODNASA-N

Smiles

CCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccco6)NC(=O)OC(C)(C)C)O)C)O)C)OC(=O)C