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Substance Name: Aprosulate
RN: 123123-68-2
UNII: X94B38CQOM
InChIKey: KSXQTGMWWMBCIP-VXMGFIRPSA-N

Note

  • Synthetic sulfated bis(lactobionic acid)amide.

Molecular Formula

  • C27-H50-N2-O70-S16

Molecular Weight

  • 2035.692
 

Classification Codes

  • Anticoagulants
  • Cardiovascular Agents
  • Fibrin Modulating Agents
  • Fibrinolytic Agents
  • Hematologic Agents
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Names and Synonyms

Name of Substance

  • Aprosulate

Synonyms

  • Aprosulate
  • N,N'-Trimethylenebis(actobionamide) hexadecakis sulfate (ester)
  • N,N'-Trimethylenebis(actobionamide) hexadecakis sulphate (ester)
  • UNII-X94B38CQOM

Registry Numbers

CAS Registry Number

  • 123123-68-2

FDA UNII

  • X94B38CQOM

System Generated Number

  • 0123123682

Structure Descriptors

InChI

1S/C27H50N2O70S16/c30-24(20(96-112(68,69)70)16(92-108(56,57)58)12(10(88-104(44,45)46)6-82-102(38,39)40)86-26-22(98-114(74,75)76)18(94-110(62,63)64)14(90-106(50,51)52)8(84-26)4-80-100(32,33)34)28-2-1-3-29-25(31)21(97-113(71,72)73)17(93-109(59,60)61)13(11(89-105(47,48)49)7-83-103(41,42)43)87-27-23(99-115(77,78)79)19(95-111(65,66)67)15(91-107(53,54)55)9(85-27)5-81-101(35,36)37/h8-23,26-27H,1-7H2,(H,28,30)(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,26+,27+/m1/s1

InChIKey

KSXQTGMWWMBCIP-VXMGFIRPSA-N

Smiles

OS(=O)(=O)OC[C@@H](OS(=O)(=O)O)[C@@H](O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C(=O)NCCCNC(=O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O