Identification Common Name Vinblastine sulfate Class Small Molecule Description Antitumor alkaloid isolated from Vinca rosea. (Merck, 11th ed.) Contaminant Sources IARC Carcinogens Group 3
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source Velban ChEMBL, MeSH [3H]-Vinblastine ChEMBL Gry brand OF vinblastine sulfate MeSH Hexal brand OF vinblastine sulfate MeSH Lilly brand OF vinblastine sulfate MeSH Velbe MeSH EG labo brand OF vinblastine sulfate MeSH Faulding brand OF vinblastine sulfate MeSH Lemblastine MeSH Vinblastinsulfat-gry MeSH Vincaleukoblastine MeSH Vinblastin hexal MeSH Vinblastina lilly MeSH Cell pharm brand OF vinblastine sulfate MeSH Gastrozepin brand OF vinblastine sulfate MeSH Lemery brand OF vinblastine sulfate MeSH Sulfate, vinblastine MeSH Vinblastine sulfate MeSH Cellblastin MeSH
Chemical Formula C46 H58 N4 O9 Average Molecular Mass 810.974 g/mol Monoisotopic Mass 810.420 g/mol CAS Registry Number 143-67-9 IUPAC Name methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate Traditional Name vinblastine SMILES [H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC InChI Identifier InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 InChI Key JXLYSJRDGCGARV-CFWMRBGOSA-N 
