Idraparinux

CAS Registry Number®

149920-56-9
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CAS Name

Idraparinux

Molecular Formula

C38H64O49S7.9Na

Cite this Page

Idraparinux.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149920-56-9 (retrieved 2022-10-06) (CAS RN: 149920-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-;;;;;;;;;/m1........./s1

InChIKey

InChIKey=ZJUNHVJPEJJPQS-MCPDASDXSA-N

SMILES

O([C@H]1[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]3COS(=O)(=O)O)O[C@H]2C(O)=O)O[C@@H]1COS(=O)(=O)O)[C@H]4[C@H](OC)[C@@H](OC)[C@H](O[C@@H]5[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COS(=O)(=O)O)O5)[C@@H](C(O)=O)O4.[Na]

Canonical SMILES

[Na].O=C(O)C1OC(OC2C(OC(OC3C(OC(OC4C(OC(OC)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)C(OC)C3OC)C(=O)O)C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)C(OC)C(OC)C1OC5OC(COS(=O)(=O)O)C(OC)C(OC)C5OC

Other Names for this Substance

  • α-D-Glucopyranoside, methyl O-2,3,4-tri-O-methyl-6-O-sulfo-α-D-glucopyranosyl-(1→4)-O-2,3-di-O-methyl-β-D-glucopyranuronosyl-(1→4)-O-2,3,6-tri-O-sulfo-α-D-glucopyranosyl-(1→4)-O-2,3-di-O-methyl-α-L-idopyranuronosyl-(1→4)-, 2,3,6-tris(hydrogen sulfate), sodium salt (1:9)
  • α-D-Glucopyranoside, methyl O-2,3,4-tri-O-methyl-6-O-sulfo-α-D-glucopyranosyl-(1→4)-O-2,3-di-O-methyl-β-D-glucopyranuronosyl-(1→4)-O-2,3,6-tri-O-sulfo-α-D-glucopyranosyl-(1→4)-O-2,3-di-O-methyl-α-L-idopyranuronosyl-(1→4)-, 2,3,6-tris(hydrogen sulfate), nonasodium salt
  • Idraparinux sodium
  • SANORG 34006
  • Org 34006