AHR-14310C

CAT: 0013-GTR19201512-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19201512-01Size:25 mg

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Description

AHR-14310C is a long-acting, nonsedating histamine H1 receptor antagonist. It is a valuable research tool for investigating allergic responses and inflammatory processes in both in vitro binding assays and in vivo models of allergy and anaphylaxis.

CAS Number

119810-68-3

Field of Research

Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery

Smiles

C (O) (C1CCN (CCC2CN (C) C (=O) O2) CC1) (C3=CC=C (F) C=C3) C4=CC=C (F) C=C4

Molecular Formula

C24H28F2N2O3

Molecular Weight

430.49

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ahr 14310C

potent, long-acting, non-sedating antihistamine; structure given in first source

CAS Number	119810-68-3
PubChem CID	147961
IUPAC Name	5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
Molecular Formula	C24H28F2N2O3
Molecular Weight	430.5
XLogP	3.6
Topological Polar Surface Area	53
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	576

SMILES

CN1CC(OC1=O)CCN2CCC(CC2)C(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C24H28F2N2O3/c1-27-16-22(31-23(27)29)12-15-28-13-10-19(11-14-28)24(30,17-2-6-20(25)7-3-17)18-4-8-21(26)9-5-18/h2-9,19,22,30H,10-16H2,1H3

InChIKey

SFIREZNAZLSKNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119810-68-3

CID: 147961

Formula: C24H28F2N2O3

MW: 430.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	430.5
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	430.20679908
Monoisotopic Mass	430.20679908
Topological Polar Surface Area	53 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	576
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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