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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H88N4O51S8
Molecular Weight 1853.782
Optical Activity UNSPECIFIED
Defined Stereocenters 28 / 28
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDRABIOTAPARINUX

SMILES

[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=MUQWDYYIYNYBQD-OFHININYSA-N
InChI=1S/C53H88N4O51S8/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)/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 C53H88N4O51S8
Molecular Weight 1853.782
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 28 / 28
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:33 UTC 2023
Edited
by admin
on Sat Dec 16 10:09:33 UTC 2023
Record UNII
H44R6RJT3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDRABIOTAPARINUX
WHO-DD  
Common Name English
Idrabiotaparinux [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000175130
Created by admin on Sat Dec 16 10:09:33 UTC 2023 , Edited by admin on Sat Dec 16 10:09:33 UTC 2023
PRIMARY
CAS
774531-07-6
Created by admin on Sat Dec 16 10:09:33 UTC 2023 , Edited by admin on Sat Dec 16 10:09:33 UTC 2023
PRIMARY
FDA UNII
H44R6RJT3S
Created by admin on Sat Dec 16 10:09:33 UTC 2023 , Edited by admin on Sat Dec 16 10:09:33 UTC 2023
PRIMARY
PUBCHEM
16202213
Created by admin on Sat Dec 16 10:09:33 UTC 2023 , Edited by admin on Sat Dec 16 10:09:33 UTC 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
CAN NEUTRALIZE IDRABIOTAPARINUX
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY