Analyte Name

Vinblastine N'b-Oxide Maleic Acid Salt

CAS Number

947607-87-6

Molecular Formula

C50H62N4O14

Molecular Weight

943.06

Accurate Mass

942.43

SMILES

C(=C\C(O)=O)\C(O)=O.C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CCN9(=O)C[C@](C6)(C[C@](CC)(O)C9)[H])[H])CCN3CC=C2)[H]

InChI

InChI=1S/C46H58N4O10.C4H4O4/c1-8-42(54)23-28-24-45(40(52)58-6,36-30(15-20-50(56,25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)57-5)48(4)38-44(31)17-19-49-18-12-16-43(9-2,37(44)49)39(60-27(3)51)46(38,55)41(53)59-7;5-3(6)1-2-4(7)8/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t28-,37+,38-,39-,42+,43-,44-,45+,46+,50+;/m1./s1

IUPAC

(3S,5S,7S,9S)-9-((3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-3,7-methano[1]azacycloundecino[5,4-b]indole 3(2H)-oxide maleate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat