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188923-01-5 | 1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-[[(2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)-4-MORPHOLINYL]METHYL]-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)
CAS No: 188923-01-5 Catalog No: AG002HJZ MDL No:
Product Description
Catalog Number:
AG002HJZ
Chemical Name:
1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-[[(2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)-4-MORPHOLINYL]METHYL]-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)
CAS Number:
188923-01-5
Molecular Formula:
C26H29ClF7N5O2
Molecular Weight:
611.9826
IUPAC Name:
1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine;hydrochloride
InChI:
InChI=1S/C26H28F7N5O2.ClH/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22;/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36);1H/t15-,23+,24-;/m1./s1
InChI Key:
VZBKOBSSEVXFNF-QIRDZIKRSA-N
SMILES:
CN(Cc1nn[nH]c1CN1CCO[C@@H]([C@@H]1c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C.Cl
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
611.19g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
611.99g/mol
Monoisotopic Mass:
611.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Chronic psychosocial stress in tree shrews: effect of the substance P (NK1 receptor) antagonist L-760735 and clomipramine on endocrine and behavioral parameters. | Psychopharmacology 20050901 |
| The substance P (NK1) receptor antagonist L-760735 inhibits fear conditioning in gerbils. | Neuropharmacology 20030301 |
| Substance P (neurokinin 1) receptor antagonists enhance dorsal raphe neuronal activity. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20020901 |
| Correlation of neurokinin (NK) 1 receptor occupancy in gerbil striatum with behavioral effects of NK1 antagonists. | The Journal of pharmacology and experimental therapeutics 20020501 |
| Chronic substance P (NK1) receptor antagonist and conventional antidepressant treatment increases burst firing of monoamine neurones in the locus coeruleus. | Neuroscience 20020101 |
| Comparison of the phenotype of NK1R-/- mice with pharmacological blockade of the substance P (NK1 ) receptor in assays for antidepressant and anxiolytic drugs. | Behavioural pharmacology 20011101 |
| Anxiolytic actions of the substance P (NK1) receptor antagonist L-760735 and the 5-HT1A agonist 8-OH-DPAT in the social interaction test in gerbils. | Brain research 20011012 |
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