U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30ClN7O4S.C7H8O3S.H2O
Molecular Weight 738.274
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDOXABAN TOSYLATE MONOHYDRATE

SMILES

O.CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)C(=O)[C@H]2CC[C@H](NC(=O)C(=O)NC3=NC=C(Cl)C=C3)[C@@H](C2)NC(=O)C4=NC5=C(CN(C)CC5)S4

InChI

InChIKey=PSMMNJNZVZZNOI-SJILXJHISA-N
InChI=1S/C24H30ClN7O4S.C7H8O3S.H2O/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;1-6-2-4-7(5-3-6)11(8,9)10;/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10);1H2/t13-,15-,17+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H30ClN7O4S
Molecular Weight 548.057
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:22:46 UTC 2023
Edited
by admin
on Sat Dec 16 05:22:46 UTC 2023
Record UNII
972203R4EW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDOXABAN TOSYLATE MONOHYDRATE
Common Name English
ETHANEDIAMIDE, N1-(5-CHLORO-2-PYRIDINYL)-N2-((1S,2R,4S)-4-((DIMETHYLAMINO)CARBONYL)-2-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)-, 4-METHYLBENZENESULFONATE, HYDRATE (1:1:1)
Common Name English
EDOXABAN TOSILATE MONOHYDRATE
WHO-DD  
Common Name English
N-(5-CHLOROPYRIDIN-2-YL)-N'-((1S,2R,4S)-4-((DIMETHYLAMINO)CARBONYL)-2-(((5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)ETHANEDIAMIDE MONO(P-TOLUENESULFONATE) MONOHYDRATE
Common Name English
N-(5-CHLOROPYRIDIN-2-YL)-N'-((1S,2R,4S)-4-((DIMETHYL AMINO)CARBONYL)-2-(((5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)ETHANEDIAMIDE P-TOLUENESULFONATE MONOHYDRATE
Common Name English
LIXIANA
Brand Name English
EDOXABAN TOSILATE HYDRATE
JAN  
Common Name English
EDOXABAN TOSILATE HYDRATE [JAN]
Common Name English
SAVAYSA
Brand Name English
Edoxaban tosilate monohydrate [WHO-DD]
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS LIXIANA (AUTHORIZED: STROKE)
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
EMA ASSESSMENT REPORTS LIXIANA (AUTHORIZED: VENOUS THROMBOEMBOLISM)
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
Code System Code Type Description
SMS_ID
100000168588
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
PUBCHEM
25022378
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID60153788
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
CHEBI
85974
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
EVMPD
SUB182369
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
CAS
1229194-11-9
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
DRUG BANK
DBSALT001718
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
FDA UNII
972203R4EW
Created by admin on Sat Dec 16 05:22:46 UTC 2023 , Edited by admin on Sat Dec 16 05:22:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY