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Ramatroban

CAT: 0013-GTR19174940-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174940-01Size:5 mg
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Description
Ramatroban (BAY u3405) is a thromboxane A2 (TxA2) receptor antagonist approved for allergic rhinitis. It has been investigated in clinical trials for asthma treatment and is utilized in preclinical research to study TxA2-mediated pathways in both in vitro and in vivo models of inflammation.
CAS Number
116649-85-5
Product Name Alternative
BAY u 3405, BAY u3405, BAY u-3405, CRTh2, Inhibitor, inhibit, Ramatroban, ProstaglandinReceptor, Prostaglandin Receptor, TXA2R
Field of Research
Immunology & Inflammation, Metabolism Research, Molecular Biology, Pharmacology & Drug Discovery
Purity
98.12% (May vary between batches)
Solubility
DMSO:50 mg/mL (120.06 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.8 mM) ; Ethanol:100 mM
Smiles
C (CC (O) =O) N1C2=C (C=3C1=CC=CC3) C[C@H] (NS (=O) (=O) C4=CC=C (F) C=C4) CC2
Molecular Formula
C21H21FN2O4S
Molecular Weight
416.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ramatroban

Ramatroban is an organic molecular entity.

CAS Number116649-85-5
PubChem CID123879
IUPAC Name3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Molecular FormulaC21H21FN2O4S
Molecular Weight416.5
XLogP2.9
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity689
SMILES
C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
InChI
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
InChIKey
LDXDSHIEDAPSSA-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Ramatroban
CAS: 116649-85-5
CID: 123879
Formula: C21H21FN2O4S
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass416.12060649
Monoisotopic Mass416.12060649
Topological Polar Surface Area96.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FR27672Ramatroban
HY-B0745S-01Ramatroban-d4
AR-R10260-01Ramatroban Impurity 1
MBS130397-01Ramatroban, BAY-u3405

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