[ ¹⁸ F]AlF-NOTA-FAPI-04

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45F2N9O8.Al.F
Molecular Weight	814.7773
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[18F-].[Al+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)CC1

InChI

InChIKey=HLTXZXXQPUDDPR-ZLVIOKDVSA-K

InChI=1S/C36H47F2N9O8.Al.FH/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);;1H/q;+3;/p-3/t26-;;/m0../s1/i;;1-1

HIDE SMILES / InChI

Molecular Formula	F
Molecular Weight	18.0009
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Al
Molecular Weight	26.9815
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C36H45F2N9O8
Molecular Weight	769.7948
Charge	-2
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 19:20:54 GMT 2023` Edited by `admin` on `Sat Dec 16 19:20:54 GMT 2023`
Record UNII	ZL8YCF85HB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[ ¹⁸ F]AlF-NOTA-FAPI-04

Common Name

English

(T-4)-[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-1H-1,4,7-triazonine-1,4(5H)-diacetato(2-)-κN1,κN4,κN7]fluoro-18Faluminum

Systematic Name

English

Aluminum, [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-1H-1,4,7-triazonine-1,4(5H)-diacetato(2-)-κN1,κN4,κN7]fluoro-18F-, (T-4)-

Systematic Name

English

Code System Code Type Description

CAS

2374782-59-7

Created by admin on Sat Dec 16 19:20:55 GMT 2023 , Edited by admin on Sat Dec 16 19:20:55 GMT 2023

PRIMARY

FDA UNII

ZL8YCF85HB

Created by admin on Sat Dec 16 19:20:55 GMT 2023 , Edited by admin on Sat Dec 16 19:20:55 GMT 2023

PRIMARY

PUBCHEM