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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35N11O11S
Molecular Weight 745.72
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETARFOLATIDE

SMILES

N[C@@H](CNC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O

InChI

InChIKey=RKGPQAGUQDVJHG-MHORFTMASA-N
InChI=1S/C29H35N11O11S/c30-15(24(45)37-17(7-20(42)43)25(46)38-18(11-52)28(50)51)10-33-19(41)6-5-16(27(48)49)36-23(44)12-1-3-13(4-2-12)32-8-14-9-34-22-21(35-14)26(47)40-29(31)39-22/h1-4,9,15-18,32,52H,5-8,10-11,30H2,(H,33,41)(H,36,44)(H,37,45)(H,38,46)(H,42,43)(H,48,49)(H,50,51)(H3,31,34,39,40,47)/t15-,16+,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35N11O11S
Molecular Weight 745.72
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Etarfolatide (EC20) is a conjugate of folic acid and peptidic metal-chelating moiety. Technetium Tc99m radiolabeled etarfolatide is a folate-targeted molecular imaging agent that is being developed to non-invasively identify tumors that express folate receptors and that may respond to folate-targeted therapy. It is being co-developed as the companion imaging agent to Vynfinit® (vintafolide) and EC1456 (folate-tubulysin).

Approval Year

PubMed

Substance Class Chemical
Record UNII
40UB1H6Q6T
Record Status Validated (UNII)
Record Version