Enoxaparin Sodium

Analyte Name

Enoxaparin Sodium

CAS Number

679809-58-6

Molecular Formula

C42H59N3Na4O35S2

Molecular Weight

1322.0

Accurate Mass

1321.2

SMILES

C[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@@H]2CC([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H](C=C(O4)C(=O)[O-])O)O)O)NC(=O)C)C(=O)[O-])CO)OC5[C@@H]([C@H]([C@@H](OC5C(=O)[O-])OC6[C@H]7CO[C@H](O7)[C@@H]([C@H]6O)NS(=O)(=O)[O-])O)O)NC(=O)C.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C42H63N3O35S2.4Na/c1-9-19(43-10(2)47)39(79-33-27(55)28(56)42(80-34(33)37(61)62)78-31-17-7-69-38(74-17)21(25(31)53)45-81(63,64)65)73-16(6-46)29(9)71-14-4-12(35(57)58)30(26(54)23(14)51)76-40-20(44-11(3)48)24(52)32(18(75-40)8-70-82(66,67)68)77-41-22(50)13(49)5-15(72-41)36(59)60;;;;/h5,9,12-14,16-34,38-42,45-46,49-56H,4,6-8H2,1-3H3,(H,43,47)(H,44,48)(H,57,58)(H,59,60)(H,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/t9-,12?,13+,14-,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31?,32-,33?,34?,38-,39-,40-,41+,42-;;;;/m1..../s1

IUPAC

sodium (2R,3R,4S)-2-(((2R,3S,4R,5R,6S)-5-acetamido-6-(((1R,2R,3R,4R)-4-(((2R,3S,4R,5R,6R)-5-acetamido-6-(((4R,5R,6R)-2-carboxylato-4,5-dihydroxy-6-(((1R,3R,4R,5R)-3-hydroxy-4-(sulfonatoamino)-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-2-(hydroxymethyl)-4-methyltetrahydro-2H-pyran-3-yl)oxy)-6-carboxylato-2,3-dihydroxycyclohexyl)oxy)-4-hydroxy-2-((sulfooxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Enoxaparin Sodium