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RG-12915 25mg

CAT: 0628-A20715-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20715-25Size:25 mg
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CAS Number
136174-04-4

Chemical Information

RG 12915

RG 12915 is a 5-hydroxytryptamine-3 (5-HT3) receptor antagonist with antiemetic activity. RG 12915 binds to and antagonizes the action of serotonin on the 5-HT-3 receptor located on vagal afferents in the chemoreceptor trigger zone (CTZ), resulting in suppression of chemotherapy-induced nausea and vomiting.

CAS Number136174-04-4
PubChem CID130427
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide
Molecular FormulaC20H25ClN2O2
Molecular Weight360.9
XLogP3.7
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity522
SMILES
C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)NC4CN5CCC4CC5
InChI
InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)
InChIKey
LDYMIBZOCSHLBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RG 12915
CAS: 136174-04-4
CID: 130427
Formula: C20H25ClN2O2
MW: 360.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight360.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass360.1604557
Monoisotopic Mass360.1604557
Topological Polar Surface Area41.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes