136098-08-3 , Heparin disaccharide IV-S disodium salt

136098-08-3 , Heparin disaccharide IV-S disodium salt
Cas:136098-08-3
C12H17NO13S·2Na / 461.31

Heparin disaccharide IV-S disodium salt

Heparin is a complex carbohydrate that has been modified by the addition of a sugar and a sulfate group. It is used in the treatment of thrombosis, deep vein thrombosis, pulmonary embolism, and other blood clots. Heparin disaccharide IV-S disodium salt (HDS) is an intravenous form of heparin that consists of sodium salts of two saccharides: heparin disaccharide and sodium disulfate. HDS has been shown to be more potent than unfractionated heparin in animal models, as well as being more effective in preventing clot formation in humans. This drug also exhibits less frequent side effects such as skin rash, itching, or hives.

CAS Number	136098-08-3
Product Name	disodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
IUPAC Name	disodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Molecular Formula	C12H17NNa2O13S
Molecular Weight	461.31 g/mol
InChI	InChI=1S/C12H19NO13S.2Na/c14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19;;/h1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23);;/q;2*+1/p-2/t3-,5+,6+,7+,8+,9+,11?,12-;;/m0../s1
InChI Key	UGJJJEXZLWCXLZ-HGOXMNNESA-L
SMILES	C1=C(OC(C(C1O)O)OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-].[Na+].[Na+]
Canonical SMILES	C1=C(OC(C(C1O)O)OC2C(OC(C(C2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-].[Na+].[Na+]
Isomeric SMILES	C1=C(O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-].[Na+].[Na+]