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Donetidine

CAT: 1410-M36158-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M36158-01Size:1 Each
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Description
Donetidine is a histamine H2 receptor antagonist used to treat digestive disorders.
CAS Number
99248-32-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
415.51
Molecular Formula
C20H25N5O3S
Notes
Research use only, not for human use.
Receptor
Histamine Receptor

Chemical Information

Donetidine

Donetidine is a pyrimidone.

CAS Number99248-32-5
PubChem CID6917961
IUPAC Name2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
Molecular FormulaC20H25N5O3S
Molecular Weight415.5
XLogP0
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity744
SMILES
CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=O)NC=C3
InChI
InChI=1S/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKey
MURUHMTVTKOWBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Donetidine
CAS: 99248-32-5
CID: 6917961
Formula: C20H25N5O3S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass415.16781085
Monoisotopic Mass415.16781085
Topological Polar Surface Area124 Ų
Heavy Atom Count29
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP08130-01Donetidine

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