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Famotidine Sulfoxide

CAT: 1596-AR-F01037-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01037-01Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90237-03-9
Synonyms
3- (((2-guanidinothiazol-4-yl) methyl) sulfinyl) -N-sulfamoylpropanimidamide;3-[[[2-[ (Aminoiminomethyl) amino]-4-thiazolyl]methyl]sulfinyl]-N- (aminosulfonyl) propanimidamide; Famotidine Sulfoxide;3-[2- (Diaminomethyleneamino) -1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine
Molecular Formula
C8H15N7O3S3
Molecular Weight
353.43
API Name
Famotidine

Chemical Information

Famotidine sulfoxide
CAS Number90237-03-9
PubChem CID13949559
IUPAC Name3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide
Molecular FormulaC8H15N7O3S3
Molecular Weight353.5
XLogP-2.1
Topological Polar Surface Area249
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity538
SMILES
C1=C(N=C(S1)N=C(N)N)CS(=O)CC/C(=N/S(=O)(=O)N)/N
InChI
InChI=1S/C8H15N7O3S3/c9-6(15-21(12,17)18)1-2-20(16)4-5-3-19-8(13-5)14-7(10)11/h3H,1-2,4H2,(H2,9,15)(H2,12,17,18)(H4,10,11,13,14)
InChIKey
LAZSSGBZNCVJCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Famotidine sulfoxide
CAS: 90237-03-9
CID: 13949559
Formula: C8H15N7O3S3
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass353.03985089
Monoisotopic Mass353.03985089
Topological Polar Surface Area249 Ų
Heavy Atom Count21
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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