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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26ClN3O5S
Molecular Weight 479.977
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LETAXABAN

SMILES

O[C@H](CS(=O)(=O)C1=CC=C2C=C(Cl)C=CC2=C1)C(=O)N3CCC(CC3)N4CCCNC4=O

InChI

InChIKey=GEHAEMCVKDPMKO-HXUWFJFHSA-N
InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LETAXABAN
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
2(1H)-PYRIMIDINONE, 1-(1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-PIPERIDINYL)TETRAHYDRO-
Systematic Name English
1-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one
Systematic Name English
PIPERIDINE, 1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-(TETRAHYDRO-2-OXO-1(2H)-PYRIMIDINYL)-
Systematic Name English
LETAXABAN [USAN]
Common Name English
TAK442
Code English
letaxaban [INN]
Common Name English
Letaxaban [WHO-DD]
Common Name English
TAK-442
Code English
Classification Tree Code System Code
NCI_THESAURUS C29750
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
Code System Code Type Description
EVMPD
SUB128197
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
NCI_THESAURUS
C96541
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
FDA UNII
Y3WB03966W
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
INN
9313
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
DRUG BANK
DB11984
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
CAS
870262-90-1
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
SMS_ID
100000153870
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
USAN
WW-135
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
PUBCHEM
11641515
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL1095032
Created by admin on Fri Dec 15 19:13:44 UTC 2023 , Edited by admin on Fri Dec 15 19:13:44 UTC 2023
PRIMARY