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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H51F2N10O10.Ga
Molecular Weight 937.8187
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Gallium Ga-68-DOTA-FAPi-04

SMILES

[68Ga+3].[O-]C(=O)CN1CCN(CC([O-])=O)CCN(CC(=O)N2CCN(CCCOC3=CC=C4N=CC=C(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)C4=C3)CC2)CCN(CC([O-])=O)CC1

InChI

InChIKey=BCIZYKIPRCQROA-JNFNWKLASA-K
InChI=1S/C40H54F2N10O10.Ga/c41-40(42)21-29(22-43)52(28-40)34(53)23-45-39(61)31-4-5-44-33-3-2-30(20-32(31)33)62-19-1-6-46-15-17-51(18-16-46)35(54)24-47-7-9-48(25-36(55)56)11-13-50(27-38(59)60)14-12-49(10-8-47)26-37(57)58;/h2-5,20,29H,1,6-19,21,23-28H2,(H,45,61)(H,55,56)(H,57,58)(H,59,60);/q;+3/p-3/t29-;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula C40H51F2N10O10
Molecular Weight 869.8907
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 18:35:13 UTC 2023
Edited
by admin
on Sat Dec 16 18:35:13 UTC 2023
Record UNII
ZZ7STN2LBB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Gallium Ga-68-DOTA-FAPi-04
Common Name English
DOTA-FAPI-04 GALLIUM GA-68
Common Name English
(68GA)-DOTA-FAPI-04
Common Name English
68GA-FAPI-04
Common Name English
GALLIUM GA 68-DOTA-FAPI-04
Common Name English
Gallium-68-FAPi-04
Common Name English
GALLIUM-68GA, (10-(2-(4-(3-((4-(((2-((2S)-2-CYANO-4,4-DIFLUORO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)CARBONYL)-6-QUINOLINYL)OXY)PROPYL)-1-PIPERAZINYL)-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATO(3-)-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)-,
Systematic Name English
FAPI-04 GA-68
Common Name English
Code System Code Type Description
PUBCHEM
155907829
Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023
PRIMARY
NCI_THESAURUS
C173538
Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023
PRIMARY
CAS
2374784-95-7
Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023
PRIMARY
FDA UNII
ZZ7STN2LBB
Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET->RADIOLIGAND
INHIBITOR: IMAGING
NON-LABELED -> LABELED
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ACTIVE MOIETY