Nocodazole

C₁₄H₁₁N₃O₃SCAS 31430-18-9301.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁N₃O₃S
Molar mass: 301.32 g/mol
Exact mass: 301.0521 Da
Water solubility: < 1 g/L (15 °C)
logP: 3.05Crippen estimate
Polar surface area: 87.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Warning

H341 Suspected of causing genetic defects98.6% of notifiers
H361 Suspected of damaging fertility or the unborn child97.3% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

31430-18-9

SMILES

COC(O)=Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1

InChIKey

KYRVNWMVYQXFEU-UHFFFAOYSA-N

InChI

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Carbamic acid, N-[6-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester
2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester
Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester
NSC 238159
R 17934
Oncodazole
N-[5-(2-Thenoyl)-2-benzimidazolyl]carbamic acid methyl ester
Methyl[5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate
[6-(Thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester
[5-(Thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester

Work with Nocodazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mebendazole31431-39-773 % similar Flubendazole31430-15-667 % similar Carbendazim10605-21-754 % similar Oxfendazole53716-50-053 % similar Fenbendazole43210-67-952 % similar (±)-Albendazole sulfoxide54029-12-849 % similar Parbendazole14255-87-949 % similar Oxibendazole20559-55-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia