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Phenformin

CAT: 0127-BUP14095-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14095-03Size:25 mg
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CAS Number
114-86-3
Synonyms
Debeone, N-Phenethylbiguanide, Insoral, BRN 1977317, Azucaps
Purity
=95%
Smiles
NC(=N)NC(=N)NCCc1ccccc1

Chemical Information

Phenformin

Phenformin is a member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis. It has a role as a geroprotector, a hypoglycemic agent and an antineoplastic agent. It is functionally related to a biguanide.

CAS Number114-86-3
PubChem CID8249
IUPAC Name1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
Molecular FormulaC10H15N5
Molecular Weight205.26
XLogP-0.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity236
SMILES
C1=CC=C(C=C1)CCN=C(N)N=C(N)N
InChI
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChIKey
ICFJFFQQTFMIBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenformin
CAS: 114-86-3
CID: 8249
Formula: C10H15N5
MW: 205.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.26
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass205.13274550
Monoisotopic Mass205.13274550
Topological Polar Surface Area103 Ų
Heavy Atom Count15
Formal Charge0
Complexity236
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