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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H54F2N11O9.Ga
Molecular Weight 950.8605
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FAPi-46 GA-68

SMILES

[68Ga+3].[H][C@]1(CC(F)(F)CN1C(=O)CNC(=O)C2=CC=NC3=CC=C(C=C23)N(C)CCCN4CCN(CC4)C(=O)CN5CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC5)C#N

InChI

InChIKey=YRZMUMGVTRNFAJ-DJJSLDLFSA-K
InChI=1S/C41H57F2N11O9.Ga/c1-47(30-3-4-34-33(21-30)32(5-6-45-34)40(63)46-24-35(55)54-29-41(42,43)22-31(54)23-44)7-2-8-48-17-19-53(20-18-48)36(56)25-49-9-11-50(26-37(57)58)13-15-52(28-39(61)62)16-14-51(12-10-49)27-38(59)60;/h3-6,21,31H,2,7-20,22,24-29H2,1H3,(H,46,63)(H,57,58)(H,59,60)(H,61,62);/q;+3/p-3/t31-;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula C41H54F2N11O9
Molecular Weight 882.9326
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ga
Molecular Weight 67.928
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:21:19 UTC 2023
Edited
by admin
on Sat Dec 16 15:21:19 UTC 2023
Record UNII
7X34CP0VEL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAPi-46 GA-68
Code English
[68Ga]Ga-FAPI-46
Common Name English
Gallium Ga 68 FAPi-46
Common Name English
Gallium-68-FAPi-46
Common Name English
Gallium-<sup>68</sup>Ga, [10-[2-[4-[3-[[4-[[[2-[(2S)-2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]methylamino]propyl]-1-piperazinyl]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10]-, (
Common Name English
Code System Code Type Description
CAS
2374784-98-0
Created by admin on Sat Dec 16 15:21:20 UTC 2023 , Edited by admin on Sat Dec 16 15:21:20 UTC 2023
PRIMARY
PUBCHEM
164888937
Created by admin on Sat Dec 16 15:21:20 UTC 2023 , Edited by admin on Sat Dec 16 15:21:20 UTC 2023
PRIMARY
FDA UNII
7X34CP0VEL
Created by admin on Sat Dec 16 15:21:20 UTC 2023 , Edited by admin on Sat Dec 16 15:21:20 UTC 2023
PRIMARY
NCI_THESAURUS
C165559
Created by admin on Sat Dec 16 15:21:20 UTC 2023 , Edited by admin on Sat Dec 16 15:21:20 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
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ACTIVE MOIETY