Dalteparin

Dalteparin

Molecular structure via molpic based on CDK

Rotamer []
Conformer structure via 3Dmol.js
Enable javascript to view conformer structure via 3Dmol.js

Physical properties []
Molecular mass	1134.9 g/mol [1]
Solubility	1.08e+01 g/L [1]
Predicted LogP	-10.8 [1]

Structural Identifiers []
Molecular formula	C26H42N2O37S5 [1]
IUPAC name	6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid [1]
SMILES	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O [1]
InChI	InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54) [1]
InChIKey	HTTJABKRGRZYRN-UHFFFAOYSA-N [1]

Pharmacokinetics[]
Elimination half-life	3 – 5 hours subcutaneous; 2.1 – 2.3 hours IV

Dalteparin (also known as 2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose, 2-o-sulfohexopyranuronosyl-(1->4)-2-deoxy-3-o-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-o-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-o-sulfohexopyranose, GlyTouCan:G90061MS, Dtxcid50820351, G90061MS, Clexane, Parvoparin, α-Heparin, LMWH or Sandoparin)