Fondaparinux

CAS Registry Number®

114870-03-0
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CAS Name

Fondaparinux

Molecular Formula

C31H53N3O49S8.10Na

Cite this Page

Fondaparinux.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114870-03-0 (retrieved 2024-03-04) (CAS RN: 114870-03-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1

InChIKey

InChIKey=XNHJPDRIKNIMPQ-JASSWCPGSA-N

SMILES

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

Canonical SMILES

[Na].O=C(O)C1OC(OC2C(OC(OC3C(O)C(OS(=O)(=O)O)C(OC3C(=O)O)OC4C(O)C(NS(=O)(=O)O)C(OC)OC4COS(=O)(=O)O)C(NS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)C(O)C(O)C1OC5OC(COS(=O)(=O)O)C(O)C(O)C5NS(=O)(=O)O

Other Names for this Substance

  • α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), sodium salt (1:10)
  • α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), decasodium salt
  • IC 851589
  • SR 90107A
  • Fondaparinux sodium

Deleted or Replaced CAS Registry Numbers

350014-67-4

CAS INSIGHTSTM
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