Benfosformin

CAT: 0931-T30319-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T30319-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

52658-53-4

Target

Others

Related Pathways

Others

Bioactivity

Benfosformin is a bioactive chemical.

Smiles

[O-]P([O-])(NC(NC(NCc1ccccc1)=N)=N)=O.[Na+].[Na+].O

Molecular Formula

C9H14N5Na2O4P

Molecular Weight

333.19

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Benfosformin

Benfosformin is a phosphorylated biguanide derivative with antihyperglycamic activity. Benfosformin is associated with an increased risk of lactic acidosis.

CAS Number	52658-53-4
PubChem CID	9578098
IUPAC Name	disodium;1-(N'-benzylcarbamimidoyl)-2-phosphonatoguanidine;hydrate
Molecular Formula	C9H14N5Na2O4P
Molecular Weight	333.19
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	361

SMILES

C1=CC=C(C=C1)CN=C(N)N/C(=N/P(=O)([O-])[O-])/N.O.[Na+].[Na+]

InChI

InChI=1S/C9H14N5O3P.2Na.H2O/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17);;;1H2/q;2*+1;/p-2

InChIKey

HFSIAOCWRILWLY-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 52658-53-4

CID: 9578098

Formula: C9H14N5Na2O4P

MW: 333.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	333.19
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	333.05787951
Monoisotopic Mass	333.05787951
Topological Polar Surface Area	153 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19195437-01	Benfosformin

Benfosformin

Chemical Information

Alternative Products

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