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

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H69N13O16.Th
Molecular Weight 1407.2523
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LYSINE CORIXETAN THORIUM-227

SMILES

[227Th+4].CN1C=CC(C(=O)NCCN(CCNC(=O)C2=C([O-])C(=O)N(C)C=C2)CC(CN(CCNC(=O)C3=C([O-])C(=O)N(C)C=C3)CCNC(=O)C4=C([O-])C(=O)N(C)C=C4)CC5=CC=C(NC(=O)CCC(=O)NCCCC[C@H](N)C(O)=O)C=C5)=C([O-])C1=O

InChI

InChIKey=WUKAKEYSTRXASX-ZGLIGQMGSA-J
InChI=1S/C56H73N13O16.Th/c1-64-23-14-37(44(72)52(64)80)48(76)59-19-27-68(28-20-60-49(77)38-15-24-65(2)53(81)45(38)73)32-35(31-34-8-10-36(11-9-34)63-43(71)13-12-42(70)58-18-6-5-7-41(57)56(84)85)33-69(29-21-61-50(78)39-16-25-66(3)54(82)46(39)74)30-22-62-51(79)40-17-26-67(4)55(83)47(40)75;/h8-11,14-17,23-26,35,41,72-75H,5-7,12-13,18-22,27-33,57H2,1-4H3,(H,58,70)(H,59,76)(H,60,77)(H,61,78)(H,62,79)(H,63,71)(H,84,85);/q;+4/p-4/t41-;/m0./s1/i;1-5

HIDE SMILES / InChI

Approval Year

Name Type Language
LYSINE CORIXETAN THORIUM-227
Common Name English
LYSINY CORIXETAN THORIUM TH-227
Preferred Name English
Code System Code Type Description
FDA UNII
PI90EP52XN
Created by admin on Wed Apr 02 04:25:14 GMT 2025 , Edited by admin on Wed Apr 02 04:25:14 GMT 2025
PRIMARY
PUBCHEM
139593407
Created by admin on Wed Apr 02 04:25:14 GMT 2025 , Edited by admin on Wed Apr 02 04:25:14 GMT 2025
PRIMARY