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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H47F2N9O8
Molecular Weight 771.8107
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NOTA-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)CC1

InChI

InChIKey=XQARGGQZFNOLDH-SANMLTNESA-N
InChI=1S/C36H47F2N9O8/c37-36(38)19-26(20-39)47(25-36)31(48)21-41-35(54)28-4-5-40-30-3-2-27(18-29(28)30)55-17-1-6-42-13-15-46(16-14-42)32(49)22-43-7-9-44(23-33(50)51)11-12-45(10-8-43)24-34(52)53/h2-5,18,26H,1,6-17,19,21-25H2,(H,41,54)(H,50,51)(H,52,53)/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H47F2N9O8
Molecular Weight 771.8107
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 19:13:35 GMT 2023
Edited
by admin
on Sat Dec 16 19:13:35 GMT 2023
Record UNII
RD4ZKJ67G3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOTA-FAPI-04
Common Name English
NTFAPI
Common Name English
FAPI-42
Common Name English
1H-1,4,7-Triazonine-1,4(5H)-diacetic acid, 7-[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]hexahydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
139400498
Created by admin on Sat Dec 16 19:13:35 GMT 2023 , Edited by admin on Sat Dec 16 19:13:35 GMT 2023
PRIMARY
FDA UNII
RD4ZKJ67G3
Created by admin on Sat Dec 16 19:13:35 GMT 2023 , Edited by admin on Sat Dec 16 19:13:35 GMT 2023
PRIMARY
CAS
2374782-03-1
Created by admin on Sat Dec 16 19:13:35 GMT 2023 , Edited by admin on Sat Dec 16 19:13:35 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT