Bortezomib

C₁₉H₂₅BN₄O₄CAS 179324-69-7384.24 g/mol

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Boronic acid

Properties

Molecular formula: C₁₉H₂₅BN₄O₄
Molar mass: 384.24 g/mol
Exact mass: 384.1969 Da
Water solubility: 3.3–3.8 g/L
logP: 1.78Crippen estimate
Polar surface area: 131.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 9
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed86.7% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H361 Suspected of damaging fertility or the unborn child28.9% of notifiers
H361f Suspected of damaging fertility62.2% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure91.1% of notifiers
H411 Toxic to aquatic life with long lasting effects77.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

179324-69-7

SMILES

CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)c1cnccn1)B(O)O

InChIKey

GXJABQQUPOEUTA-RDJZCZTQSA-N

InChI

InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1

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Names and synonyms

15 names · show all

Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-
Boronic acid, [3-methyl-1-[[1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-, [S-(R*,S*)]-
Boronic acid, [(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-
B-[(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid
PS 341
PS 341 (pharmaceutical)
MG 341
LDP 341
MLN 341
Velcade
NSC 681239
DPBA
Radiciol
PS 314
Brotezamide

Work with Bortezomib

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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