Molecule ID: 49791943

IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane

Description: The molecule is a high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. Due to the highly cross-linked and insoluble nature of the material, no structural formula has been assigned and no specific molecular weight information is available. A basic anion exchange resin, it is used as its hydrochloride for binding bile acids in the intestine, inhibiting their reabsorption. It has a role as an anticholesteremic drug. It is a copolymer macromolecule and a polyamine macromolecule.

SMILES: ClCC1CO1.NCCNCCN

SELFIES: [Cl][C][C][C][O][Ring1][Ring1].[N][C][C][N][C][C][N]

InChI: InChI=1S/C4H13N3.C3H5ClO/c5-1-3-7-4-2-6;4-1-3-2-5-3/h7H,1-6H2;3H,1-2H2

Molecular Properties:
- Polar Surface Area: 76.6 Ų
- LogP: nan