Abexinostat

C₂₁H₂₃N₃O₅CAS 783355-60-2397.43 g/mol

Open in Covalent MOL file

Amide Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₃N₃O₅
Molar mass: 397.43 g/mol
Exact mass: 397.1638 Da
logP: 3.00Crippen estimate
Polar surface area: 107.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

783355-60-2

SMILES

CN(C)Cc1c(C(O)=NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12

InChIKey

MAUCONCHVWBMHK-UHFFFAOYSA-N

InChI

InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)

Weigh it out

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

Names and synonyms

8 names

2-Benzofurancarboxamide, 3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-
3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide
CRA 024781
PCI 24781
CRA 24781
3-[(Dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
THM-I 94
BRD K12867552

Work with Abexinostat

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

Tubastatin A hydrochloride1310693-92-533 % similar Itopride122898-67-331 % similar Itopride hydrochloride122892-31-330 % similar

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

Same formula

Fmoc-L-citrulline133174-15-9 Fmoc-D-cit-oh200344-33-8 Strychnine nitrate66-32-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia