Betrixaban

C₂₃H₂₂ClN₅O₃CAS 330942-05-7451.91 g/mol

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Amide Amidine Aryl halide Ether

Properties

Molecular formula: C₂₃H₂₂ClN₅O₃
Molar mass: 451.91 g/mol
Exact mass: 451.1411 Da
logP: 4.52Crippen estimate
Polar surface area: 110.9 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P301+P317, P319, P330, P501

Identifiers

CAS number

330942-05-7

SMILES

COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(O)=Nc2ccc(Cl)cn2)c1

InChIKey

XHOLNRLADUSQLD-UHFFFAOYSA-N

InChI

InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)

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Names and synonyms

4 names

Benzamide, N-(5-chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxy-
N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide
PRT 054021
Bevyxxa

Work with Betrixaban

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

2-Amino-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide280773-17-355 % similar 5-Methoxyisatin39755-95-834 % similar 2-Chloro-5-methoxybenzoic acid6280-89-334 % similar N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline173676-54-531 % similar Indomethacin53-86-131 % similar 3-Chloro-5-methoxybenzoic acid82477-67-630 % similar 2-Chloro-4-methoxybenzoic acid21971-21-130 % similar 5-Chloro-2-methoxybenzoic acid3438-16-230 % similar

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

Elsewhere

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