((Azidophenyl)Ureido)Taxoid
[CAS# 155144-12-0]

Identification

• Name: ((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))-; 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))-; Taxapu
• Molecular Formula: C₄₈H₅₃N₅O₁₄
• Molecular Weight: 923.97
• CAS Registry Number: 155144-12-0
• SMILES: [N+](=NC1=CC=C(C=C1)N(C(N[C@@H](C2=CC=CC=C2)[C@H](C(=O)O[C@H]3C[C@@]5(C(C(=C3C)[C@H](C([C@@]4([C@H](C[C@@H]7[C@]([C@H]4[C@@H]5OC(C6=CC=CC=C6)=O)(CO7)OC(C)=O)O)C)=O)OC(C)=O)(C)C)O)O)=O)C)=[N-]
• 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