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Ebopiprant HCl

CAT: 0013-GTR19210003-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210003-01Size:25 mg
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Description
Ebopiprant (OBE-022) is an orally active, selective prostaglandin F2α receptor antagonist developed for preterm labor research. It demonstrates potent tocolytic efficacy in ex vivo human tissue and in vivo animal models, offering a favorable safety profile by avoiding fetal side effects associated with non-selective COX inhibitors like indomethacin.
CAS Number
2005486-32-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
Cl.CC (C) [C@H] (N) C (=O) OCC[C@H] (NC (=O) [C@@H]1SCCN1S (=O) (=O) c1ccc (cc1) -c1ccccc1) c1ccc (F) cc1
Molecular Formula
C30H35ClFN3O5S2
Molecular Weight
636.1944
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ebopiprant hydrochloride
CAS Number2005486-32-6
PubChem CID122522052
IUPAC Name[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular FormulaC30H35ClFN3O5S2
Molecular Weight636.2
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity956
SMILES
CC(C)[C@@H](C(=O)OCC[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@H]2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N.Cl
InChI
InChI=1S/C30H34FN3O5S2.ClH/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21;/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35);1H/t26-,27-,29-;/m0./s1
InChIKey
BKHLLRSGQHTVMA-VFGMFICWSA-N
Chemical Structure
2D Structure
2D structure of Ebopiprant hydrochloride
CAS: 2005486-32-6
CID: 122522052
Formula: C30H35ClFN3O5S2
MW: 636.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass635.1690694
Monoisotopic Mass635.1690694
Topological Polar Surface Area152 Ų
Heavy Atom Count42
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS5767225Ebopiprant
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MBS5812543Ebopiprant HCl
A19626-50Ebopiprant (OBE022) 50mg
A19626-1Ebopiprant (OBE022) 1mg
A19626-25Ebopiprant (OBE022) 25mg
A19626-5Ebopiprant (OBE022) 5mg
A19626-100Ebopiprant (OBE022) 100mg
A19626-10Ebopiprant (OBE022) 10mg

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