Input interpretation
vinblastine sulfate
Chemical names and formulas
formula | C_46H_58N_4O_9·H_2SO_4 Hill formula | C_46H_60N_4O_13S name | vinblastine sulfate alternate names | vinblastine | vinblastine sulphate | vincaleucoblastine sulfate | vincaleukoblastine sulfate salt | VLB mass fractions | C (carbon) 60.8% | H (hydrogen) 6.65% | N (nitrogen) 6.16% | O (oxygen) 22.9% | S (sulfur) 3.53%
Structure diagram
Structure diagram
3D structure
3D structure
Basic properties
molar mass | 909.1 g/mol phase | solid (at STP) melting point | 267 °C solubility in water | insoluble
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | 3.9 predicted LogP hydrophobicity | 4.22 predicted LogS | -4.68
Basic drug properties
approval status | approved | small molecule drug categories | phytogenic antineoplastic agent | tubulin modulator dosage forms | intravenous: solution
![brand names | nincaluicolflastine | rozevin | velban | velbe | vinblastin | vinblastina [dcit] | vinblastine sulfate | vincaleucoblastin | vincaleucoblastine | vincaleukoblastine | vincoblastine](../image_source/deb6966c0776e1fc01064c26f9ee3f6d.png)
brand names | nincaluicolflastine | rozevin | velban | velbe | vinblastin | vinblastina [dcit] | vinblastine sulfate | vincaleucoblastin | vincaleucoblastine | vincaleukoblastine | vincoblastine
Chemical identifiers
CAS number | 143-67-9 Beilstein number | 3659812 PubChem CID number | 5388983 PubChem SID number | 156698 SMILES identifier | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O InChI identifier | InChI=1/C46H58N4O9.H2O4S/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;1-5(2, 3)4/h10-14, 16, 21-22, 28, 37-39, 47, 54-55H, 8-9, 15, 17-20, 23-26H2, 1-7H3;(H2, 1, 2, 3, 4)/t28-, 37-, 38+, 39+, 42-, 43+, 44+, 45-, 46-;/m0./s1/f/h;1-2H InChI key | JXLYSJRDGCGARV-CFWMRBGOBT RTECS number | YY8400000 MDL number | MFCD00082457
Toxicity properties
RTECS classes | tumorigen | drug | mutagen | reproductive effector | human data