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Revexepride

CAT: 0607-BA5071-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5071-1Size:1 mg
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CAS Number
219984-49-3
Form
A solid
Molecular Formula
C21H32ClN3O4
Molecular Weight
425.95
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Revexepride

Revexepride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Revexepride is a sulpiride derivative and analogue. Revexepride is under investigation in clinical trial NCT01472939 (Selective 5-HT4 Receptor Agonist and Proton Pump Inhibitor (PPI) in Subjects With Gastroesophageal Reflux Disease (GERD)). Revexepride has a monoisotopic molecular weight of 425.21 Da.

CAS Number219984-49-3
PubChem CID9823762
IUPAC Name4-amino-5-chloro-N-[[(3S,4S)-3-hydroxy-1-(3-methoxypropyl)piperidin-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
Molecular FormulaC21H32ClN3O4
Molecular Weight425.9
XLogP2.3
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity564
SMILES
CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NC[C@@H]3CCN(C[C@H]3O)CCCOC)C
InChI
InChI=1S/C21H32ClN3O4/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27)/t13-,17+/m0/s1
InChIKey
FOUUNSGQVBGYQM-SUMWQHHRSA-N
Chemical Structure
2D Structure
2D structure of Revexepride
CAS: 219984-49-3
CID: 9823762
Formula: C21H32ClN3O4
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass425.2081342
Monoisotopic Mass425.2081342
Topological Polar Surface Area97.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
UIA98449Revexepride

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