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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H54F2N10O10
Molecular Weight 872.9146
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTA-FAPI-04

SMILES

OC(=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=ICWDAESAANBIGG-LJAQVGFWSA-N
InChI=1S/C40H54F2N10O10/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)/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H54F2N10O10
Molecular Weight 872.9146
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:56:22 UTC 2023
Edited
by admin
on Sat Dec 16 18:56:22 UTC 2023
Record UNII
D7X5DKW7N9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOTA-FAPI-04
Code English
(S)-2,2',2''-(10-(2-(4-(3-((4-((2-(2-CYANO-4,4-DIFLUOROPYRROLIDIN-1-YL)-2-OXOETHYL)CARBAMOYL)QUINOLIN-6-YL)OXY)PROPYL)PIPERAZIN-1-YL)-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIYL)TRIACETIC ACID
Systematic Name English
FAPI-04
Code English
Code System Code Type Description
PUBCHEM
138454803
Created by admin on Sat Dec 16 18:56:23 UTC 2023 , Edited by admin on Sat Dec 16 18:56:23 UTC 2023
PRIMARY
CAS
2374782-02-0
Created by admin on Sat Dec 16 18:56:23 UTC 2023 , Edited by admin on Sat Dec 16 18:56:23 UTC 2023
PRIMARY
FDA UNII
D7X5DKW7N9
Created by admin on Sat Dec 16 18:56:23 UTC 2023 , Edited by admin on Sat Dec 16 18:56:23 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT