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Home Other Building Blocks Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-, hydrochloride (1:1)

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-, hydrochloride (1:1)

CAS No.:
1173022-16-6
Catalog Number:
AG000E3K
Molecular Formula:
C21H22ClF3N2O2
Molecular Weight:
426.8598
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$94
- +
5mg
≥98%
1 week
United States
$151
- +
10mg
≥98%
1 week
United States
$207
- +
25mg
≥98%
1 week
United States
$385
- +
50mg
99%
1 week
United States
$690
- +
Product Description
Catalog Number:
AG000E3K
Chemical Name:
Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]-, hydrochloride (1:1)
CAS Number:
1173022-16-6
Molecular Formula:
C21H22ClF3N2O2
Molecular Weight:
426.8598
MDL Number:
MFCD08703093
IUPAC Name:
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
InChI:
InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
InChI Key:
KRRISOFSWVKYBF-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.132g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
426.864g/mol
Monoisotopic Mass:
426.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Role of human pulmonary fibroblast-derived MCP-1 in cell activation and migration in experimental silicosis. Toxicology and applied pharmacology 20151015
Involvement of CCR-2 chemokine receptor activation in ischemic preconditioning and postconditioning of brain in mice. Cytokine 20121001
Monocyte chemoattractant protein-1 mediates angiotensin II-induced vascular smooth muscle cell proliferation via SAPK/JNK and ERK1/2. Molecular and cellular biochemistry 20120701
Ammonium pyrrolidine dithiocarbamate and RS 102895 attenuate opioid withdrawal in vivo and in vitro. Psychopharmacology 20120301
Properties