Molecule ID: 46878492

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

Description: The molecule is the hydrochloride of colestipol, a highly cross-linked, high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. It is used for binding bile acids in the intestine, inhibiting their reabsorption. It has a role as an anticholesteremic drug. It contains a colestipol.

SMILES: Cl.ClCC1CO1.NCCNCCN

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

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

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