BIBR 1532

C₂₁H₁₇NO₃CAS 321674-73-1331.37 g/mol

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Alkene Carboxylic acid

Properties

Molecular formula: C₂₁H₁₇NO₃
Molar mass: 331.37 g/mol
Exact mass: 331.1208 Da
logP: 5.23Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P273, P501

Identifiers

CAS number

321674-73-1

SMILES

C/C(=CC(O)=Nc1ccccc1C(=O)O)c1ccc2ccccc2c1

InChIKey

PGFQXGLPJUCTOI-WYMLVPIESA-N

InChI

InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+

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Names and synonyms

3 names

Benzoic acid, 2-[[(2E)-3-(2-naphthalenyl)-1-oxo-2-buten-1-yl]amino]-
Benzoic acid, 2-[[(2E)-3-(2-naphthalenyl)-1-oxo-2-butenyl]amino]-
2-[[(2E)-3-(2-Naphthalenyl)-1-oxo-2-buten-1-yl]amino]benzoic acid

Work with BIBR 1532

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-Naphthoic acid93-09-449 % similar N-Acetylanthranilic acid89-52-148 % similar 2-Anthracenecarboxylic acid613-08-145 % similar Tranilast53902-12-844 % similar N-(Acetoacetyl)anthranilic acid35354-86-043 % similar 2-Acetylnaphthalene93-08-343 % similar 2,3-Naphthalenedicarboxylic acid2169-87-142 % similar Diazenylbenzoic acid58434-28-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook