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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H79N4O51S8.9Na
Molecular Weight 2051.618
Optical Activity UNSPECIFIED
Defined Stereocenters 28 / 28
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDRABIOTAPARINUX SODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)N[C@H]3[C@@H](O[C@@]4([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]5([H])[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]6([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]7([H])[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)O[C@@H]4C([O-])=O)O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@@H]3OC)[C@@]1([H])NC(=O)N2

InChI

InChIKey=LJNNVCTYYRPPRZ-GDNXFURLSA-E
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

HIDE SMILES / InChI

Molecular Formula C53H79N4O51S8
Molecular Weight 1844.711
Charge -9
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 28 / 28
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:28 UTC 2023
Edited
by admin
on Sat Dec 16 08:10:28 UTC 2023
Record UNII
K2T918I23K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDRABIOTAPARINUX SODIUM
INN   WHO-DD  
INN  
Official Name English
Idrabiotaparinux sodium [WHO-DD]
Common Name English
idrabiotaparinux sodium [INN]
Common Name English
Code System Code Type Description
SMS_ID
100000175081
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
CAS
405159-59-3
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID40193526
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
NCI_THESAURUS
C170050
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
FDA UNII
K2T918I23K
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
PUBCHEM
16202212
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
INN
8773
Created by admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY