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Details

Stereochemistry ABSOLUTE
Molecular Formula C54H74N11O19.Ga
Molecular Weight 1249.1556
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSMA-THP GALLIUM GA-68

SMILES

[68Ga+3].CN1C(C)=CC(=O)C(O)=C1CNC(=O)CCC(CCC(=O)NCC2=C(O)C(=O)C=C(C)N2C)(CCC(=O)NCC3=C(O)C(=O)C=C(C)N3C)NC(=O)CCNC(=O)CCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O

InChI

InChIKey=AXDZVYCXVDQSOZ-JEHBFRNCSA-K
InChI=1S/C54H77N11O19.Ga/c1-30-24-38(66)48(77)35(63(30)4)27-57-43(71)15-19-54(20-16-44(72)58-28-36-49(78)39(67)25-31(2)64(36)5,21-17-45(73)59-29-37-50(79)40(68)26-32(3)65(37)6)62-46(74)18-23-56-42(70)12-9-11-41(69)55-22-8-7-10-33(51(80)81)60-53(84)61-34(52(82)83)13-14-47(75)76;/h24-26,33-34,77-79H,7-23,27-29H2,1-6H3,(H,55,69)(H,56,70)(H,57,71)(H,58,72)(H,59,73)(H,62,74)(H,75,76)(H,80,81)(H,82,83)(H2,60,61,84);/q;+3/p-3/t33-,34-;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula Ga
Molecular Weight 67.927983497
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C54H74N11O19
Molecular Weight 1181.2277
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:34:21 GMT 2025
Edited
by admin
on Wed Apr 02 20:34:21 GMT 2025
Record UNII
JQN3Z29DVH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
68Ga-THP-PSMA
Preferred Name English
PSMA-THP GALLIUM GA-68
Common Name English
THP-PSMA GA-68
Common Name English
Code System Code Type Description
NCI_THESAURUS
C165271
Created by admin on Wed Apr 02 20:34:21 GMT 2025 , Edited by admin on Wed Apr 02 20:34:21 GMT 2025
PRIMARY
FDA UNII
JQN3Z29DVH
Created by admin on Wed Apr 02 20:34:21 GMT 2025 , Edited by admin on Wed Apr 02 20:34:21 GMT 2025
PRIMARY
PUBCHEM
171390241
Created by admin on Wed Apr 02 20:34:21 GMT 2025 , Edited by admin on Wed Apr 02 20:34:21 GMT 2025
PRIMARY
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