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182815-44-7

Basic Information
CAS No.: 182815-44-7
Name: Colesevelam
Molecular Structure:
Molecular Structure of 182815-44-7 (Colesevelam)
Formula: (C13H27N)n.(C12H27ClN2)n.(C3H7N)n.(C3H5ClO)n.xHCl
Molecular Weight: 618.24900
Synonyms: GT 31-104HB;1-Hexaminium, N,N,N-trimethyl-6-(2-propenylamino)-, chloride, polymer with (chloromethyl)oxirane, 2-propen-4-amine and N-2-propenyl-1-decanamine, hydrochloride;2-(chloromethyl)oxirane; prop-2-en-1-amine; N-prop-2-enyldecan-1-amine; trimethyl-[6-(prop-2-enylamino)hexyl]azanium; chloride; hydrochloride;CholestaGel;GT31-104;Welchol;GT 31-104;1-Hexanaminium,N,N,N-trimethyl-6-(2- propenylamino)-,chloride,polymer with (chloromethyl)oxirane,2-propen-1-amine and N-2-propenyl-1-decanamine,hydrochloride;Colesevelam HCL;
EINECS: 806-925-3
PSA: 62.61000
LogP: 5.97450
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Specification

1. Introduction of Colesevelam hydrochloride
The Colesevelam hydrochloride is also known as Allylamine polymer with 1-chloro-2,3-epoxypropane, (6-(allylamino)hexyl)trimethylammonium chloride and N-allyldecylamine, hydrochloride. The Systematic Name of this chemical is 1-Hexaminium, N,N,N-trimethyl-6-(2-propenylamino)-, chloride, polymer with (chloromethyl)oxirane, 2-propen-4-amine and N-2-propenyl-1-decanamine, hydrochloride. This chemical's classification codes are Anticholesteremic Agents; Antihyperlipidemic; Antilipemic Agents; Antimetabolites; Drug / Therapeutic Agent.

2. Properties of Colesevelam hydrochloride
Physical properties about Colesevelam hydrochloride are:
(1)H-Bond Donor: 4; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 22; (4)Exact Mass: 616.438046; (5)MonoIsotopic Mass: 616.438046; (6)Topological Polar Surface Area: 62.6; (7)Heavy Atom Count: 39; (8)Formal Charge: 0; (9)Complexity: 301; (10)Isotope Atom Count: 0; (11)Defined Atom Stereocenter Count: 0; (12)Undefined Atom Stereocenter Count: 1; (13)Defined Bond Stereocenter Count: 0; (14)Undefined Bond Stereocenter Count: 0; (15)Covalently-Bonded Unit Count: 6.

3. Structure Descriptors of Colesevelam hydrochloride
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H27N.C12H27N2.C3H5ClO.C3H7N.2ClH/c1-3-5-6-7-8-9-10-11-13-14-12-4-2;1-5-10-13-11-8-6-7-9-12-14(2,3)4;4-1-3-2-5-3;1-2-3-4;;/h4,14H,2-3,5-13H2,1H3;5,13H,1,6-12H2,2-4H3;3H,1-2H2;2H,1,3-4H2;2*1H/q;+1;;;;/p-1
(2)Smiles: C([N+](C)(C)C)CCCCCNCC=C.[ClH-].C(CCCCCCCCC)NCC=C.Cl.C=CCN.O1C[C@@H]1CCl
(3)InChIKey: InChIKey=VTAKZNRDSPNOAU-UHFFFAOYSA-M
(4)Canonical SMILES: CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.Cl.[Cl-]

4. Uses of Colesevelam hydrochloride
Colesevelam hydrochloride is a bile acid sequestrant. Colesevelam hydrochloride is used with exercise and diet changes (restriction of cholesterol and fat intake) to reduce the amount of cholesterol and certain fatty substances in the blood. It works by binding bile acids in the intestine. Bile acids are made when cholesterol is broken down in the body. Removing these bile acids helps to lower blood cholesterol.

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