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87848-99-5 | 2-Propenoic acid,3-[6-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-2-pyridinyl]-,(2E)-
CAS No: 87848-99-5 Catalog No: AG00IMCG MDL No:MFCD00869830
Product Description
Catalog Number:
AG00IMCG
Chemical Name:
2-Propenoic acid,3-[6-[(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-2-pyridinyl]-,(2E)-
CAS Number:
87848-99-5
Molecular Formula:
C22H24N2O2
Molecular Weight:
348.4382
MDL Number:
MFCD00869830
IUPAC Name:
(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
InChI Key:
PWACSDKDOHSSQD-IUTFFREVSA-N
SMILES:
OC(=O)/C=C/c1cccc(n1)/C(=C/CN1CCCC1)/c1ccc(cc1)C
EC Number:
618-080-6
UNII:
A20F9XAI7W
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
348.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.446g/mol
Monoisotopic Mass:
348.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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| Quantification of antihistamine acrivastine in plasma by solid-phase extraction and high-performance liquid chromatography. | Journal of pharmaceutical and biomedical analysis 20070104 |
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| The butterbur extract petasin has no effect on skin test reactivity induced by different stimuli: a randomized, double-blind crossover study using histamine, codeine, methacholine, and aeroallergen solutions. | Journal of investigational allergology & clinical immunology 20060101 |
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| Cardiotoxicity of new antihistamines and cisapride. | Toxicology letters 20020227 |
| Lipophilicity behaviour of the Zwitterionic antihistamine cetirizine in phosphatidylcholine liposomes/water systems. | Pharmaceutical research 20010501 |
| Sedation with 'non-sedating' antihistamines: four prescription-event monitoring studies in general practice. | BMJ (Clinical research ed.) 20000429 |
| Risk of ventricular arrhythmias associated with nonsedating antihistamine drugs. | British journal of clinical pharmacology 19990301 |
| A comparison of acrivastine versus terfenadine and placebo in the treatment of chronic idiopathic urticaria. | The Journal of international medical research 19890101 |
| A comparison of acrivastine versus hydroxyzine and placebo in the treatment of chronic idiopathic urticaria. | The Journal of international medical research 19890101 |
| A comparison of acrivastine versus clemastine and placebo in the treatment of patients with chronic idiopathic urticaria. | The Journal of international medical research 19890101 |
| A comparison of acrivastine versus chlorpheniramine in the treatment of chronic idiopathic urticaria. | The Journal of international medical research 19890101 |
| An assessment of the novel antihistamine BW 825C in the treatment of chronic idiopathic urticaria. A placebo-controlled study. | Dermatologica 19840101 |
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