DOTA-FAPI-04

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 Search

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 `Wed Apr 02 12:51:16 GMT 2025` Edited by `admin` on `Wed Apr 02 12:51:16 GMT 2025`
Record UNII	D7X5DKW7N9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FAPI-04

Preferred Name

English

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

Code System Code Type Description

PUBCHEM

138454803

Created by admin on Wed Apr 02 12:51:16 GMT 2025 , Edited by admin on Wed Apr 02 12:51:16 GMT 2025

PRIMARY

CAS

2374782-02-0

Created by admin on Wed Apr 02 12:51:16 GMT 2025 , Edited by admin on Wed Apr 02 12:51:16 GMT 2025

PRIMARY

FDA UNII