Technetate(3-)-99Tc, [N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-γ-glutamyl-(2S)-2-(amino-κN)-β-alanyl-L-α-aspartyl-κN-L-cysteinato(6-)-κN,κS]oxo-, hydrogen (1:3), (SP-5-24)-

CAS Registry Number®

479410-20-3
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CAS Name

Technetate(3-)-99Tc, [N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-γ-glutamyl-(2S)-2-(amino-κN)-β-alanyl-L-α-aspartyl-κN-L-cysteinato(6-)-κN,κS]oxo-, hydrogen (1:3), (SP-5-24)-

Molecular Formula

C29H29N11O12STc.3H

Cite this Page

Technetate(3-)-99Tc, [N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-γ-glutamyl-(2S)-2-(amino-κN)-β-alanyl-L-α-aspartyl-κN-L-cysteinato(6-)-κN,κS]oxo-, hydrogen (1:3), (SP-5-24)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=479410-20-3 (retrieved 2024-04-29) (CAS RN: 479410-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H35N11O11S.O.Tc/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;;/h1-4,9,15-18H,5-8,10-11,30H2,(H12,31,32,33,34,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;/q;;+3/p-3/i;;1+1

InChIKey

InChIKey=KBRRXXKXQGQKPD-FCHARDOESA-K

SMILES

O=[99Tc+3]123[N-](C(CC([O-])=O)C(=O)[N-]1C(C([O-])=O)C[S-]2)C(=O)C(CNC(CCC(NC(=O)C4=CC=C(NCC=5N=C6C(NC5)=NC(N)=NC6=O)C=C4)C([O-])=O)=O)[NH2]3.[H+]

Canonical SMILES

[H+].O=C1N=C(N=C2NC=C(N=C12)CNC3=CC=C(C=C3)C(=O)NC(C(=O)[O-])CCC(=O)NCC4C(=O)[N-]5C(C(=O)[N-]6C(C(=O)[O-])C[S-][Tc+3]65(=O)[NH2]4)CC(=O)[O-])N

Other Names for this Substance

  • Technetate(3-)-99Tc, [N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-γ-glutamyl-(2S)-2-(amino-κN)-β-alanyl-L-α-aspartyl-κN-L-cysteinato(6-)-κN,κS]oxo-, hydrogen (1:3), (SP-5-24)-
  • Technetate(3-)-99Tc, [N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-γ-glutamyl-(2S)-2-(amino-κN)-β-alanyl-L-α-aspartyl-κN-L-cysteinato(6-)-κN,κS]oxo-, trihydrogen, (SP-5-24)-
  • Technetium Tc 99m etarfolatide
  • Technetium Tc 99m EC 20
  • EC 20

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