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Substance Name: Idrabiotaparinux sodium [INN]
RN: 405159-59-3
UNII: K2T918I23K
InChIKey: LJNNVCTYYRPPRZ-GDNXFURLSA-E

Molecular Formula

  • C53-H79-N4-Na9-O51-S8

Molecular Weight

  • 2051.6221
 
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Names and Synonyms

Name of Substance

  • Idrabiotaparinux sodium [INN]

Synonyms

  • Idrabiotaparinux sodium
  • UNII-K2T918I23K

Registry Numbers

CAS Registry Number

  • 405159-59-3

FDA UNII

  • K2T918I23K

System Generated Number

  • 0405159593

Structure Descriptors

InChI

1S/C53H88N4O51S8.9Na/c1-86-30-22(17-93-110(65,66)67)96-48(29(33(30)87-2)56-27(59)15-9-8-12-16-54-26(58)14-11-10-13-25-28-21(20-109-25)55-53(64)57-28)101-36-34(88-3)42(90-5)50(103-40(36)46(60)61)100-32-24(19-95-112(71,72)73)98-52(45(108-116(83,84)85)39(32)106-114(77,78)79)102-37-35(89-4)43(91-6)51(104-41(37)47(62)63)99-31-23(18-94-111(68,69)70)97-49(92-7)44(107-115(80,81)82)38(31)105-113(74,75)76;;;;;;;;;/h21-25,28-45,48-52H,8-20H2,1-7H3,(H,54,58)(H,56,59)(H,60,61)(H,62,63)(H2,55,57,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85);;;;;;;;;/q;9*+1/p-9/t21-,22+,23+,24+,25-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,48+,49-,50+,51+,52+;;;;;;;;;/m0........./s1

InChIKey

LJNNVCTYYRPPRZ-GDNXFURLSA-E

Smiles

[C@H]1([C@H]([C@@H](O[C@@H]2[C@@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(=O)(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C(=O)[O-])O[C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC)OC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])OC)OC)NC(=O)CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1)C(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]