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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N4O10S.In.2H
Molecular Weight 702.515
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BARZUXETAN INDIUM IN-111

SMILES

[H+].[H+].[111In+3].[O-]C(=O)CN(CC([O-])=O)[C@@H](CN(CC([O-])=O)[C@H]1CCCC[C@@H]1N(CC([O-])=O)CC([O-])=O)CC2=CC=C(C=C2)N=C=S

InChI

InChIKey=AJHRIVAOMRECMS-LIQXQQIFSA-K
InChI=1S/C26H34N4O10S.In/c31-22(32)11-28(12-23(33)34)19(9-17-5-7-18(8-6-17)27-16-41)10-29(13-24(35)36)20-3-1-2-4-21(20)30(14-25(37)38)15-26(39)40;/h5-8,19-21H,1-4,9-15H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40);/q;+3/p-3/t19-,20+,21+;/m1./s1/i;1-4

HIDE SMILES / InChI

Approval Year

Name Type Language
BARZUXETAN INDIUM IN-111
Common Name English
INDIUM IN-111 CHX-A''DTPA
Preferred Name English
INDATE(2-)-111IN, (N-(2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)CYCLOHEXYL)-N-(2-(BIS((CARBOXY-.KAPPA.O)METHYL)AMINO-.KAPPA.N)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)GLYCINATO(5-)-.KAPPA.N,.KAPPA.O)-, HYDROGEN (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
138393961
Created by admin on Wed Apr 02 05:16:18 GMT 2025 , Edited by admin on Wed Apr 02 05:16:18 GMT 2025
PRIMARY
CAS
244274-11-1
Created by admin on Wed Apr 02 05:16:18 GMT 2025 , Edited by admin on Wed Apr 02 05:16:18 GMT 2025
PRIMARY
FDA UNII
OLW2M6WG6H
Created by admin on Wed Apr 02 05:16:18 GMT 2025 , Edited by admin on Wed Apr 02 05:16:18 GMT 2025
PRIMARY