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

Details

Stereochemistry ABSOLUTE
Molecular Formula C76H107N17O22.Cu
Molecular Weight 1674.6932
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Adarulatide tetraxetan copper Cu-64

SMILES

[64Cu++].CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC(O)=O)NC(=O)CN4CCN(CC([O-])=O)CCN(CC(O)=O)CCN(CC([O-])=O)CC4)C(=O)N[C@@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=MPFVJMBPNXKNDA-QEQXBMPJSA-L
InChI=1S/C76H109N17O22.Cu/c1-45(2)32-54(68(107)87-58(72(111)89-61(44-95)75(114)115)36-49-38-80-52-17-10-9-16-51(49)52)83-69(108)57(35-48-19-21-50(96)22-20-48)84-67(106)53(18-11-23-79-76(77)78)82-74(113)60(43-94)88-71(110)56(34-47-14-7-4-8-15-47)85-70(109)55(33-46-12-5-3-6-13-46)86-73(112)59(37-63(98)99)81-62(97)39-90-24-26-91(40-64(100)101)28-30-93(42-66(104)105)31-29-92(27-25-90)41-65(102)103;/h4,7-10,14-17,19-22,38,45-46,53-61,80,94-96H,3,5-6,11-13,18,23-37,39-44H2,1-2H3,(H,81,97)(H,82,113)(H,83,108)(H,84,106)(H,85,109)(H,86,112)(H,87,107)(H,88,110)(H,89,111)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,114,115)(H4,77,78,79);/q;+2/p-2/t53-,54+,55+,56+,57+,58+,59+,60-,61+;/m1./s1/i;1+0

HIDE SMILES / InChI

Approval Year

Name Type Language
Copper (<sup>64</sup>Cu) Adarulatide Tetraxetan
INN  
Preferred Name English
Adarulatide tetraxetan copper Cu-64
Common Name English
Cuprate(3-)-<sup>64</sup>Cu, [N-[2-[4,10-bis[(carboxy-?O)methyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl-?N<sup>1</sup>,?N<sup>4</sup>,?N<sup>7</sup>,?N<sup>10</sup> ]acetyl]-L-?-aspartyl-3-cyclohexyl-L-alanyl-L-phenylalanyl-D-seryl-D-arginyl-L
Systematic Name English
copper (<sup>64</sup>Cu) adarulatide tetraxetan [INN]
Common Name English
Code System Code Type Description
CAS
2841388-40-5
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY
FDA UNII
QM8HMM6RJP
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY
PUBCHEM
171390207
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY
INN
12937
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY
NCI_THESAURUS
C206873
Created by admin on Wed Apr 02 19:49:47 GMT 2025 , Edited by admin on Wed Apr 02 19:49:47 GMT 2025
PRIMARY