Edatrexate

CAS Registry Number®

80576-83-6

CAS Name

Edatrexate

Molecular Formula

C22H25N7O5

Molecular Mass

467.48

Cite this Page

Edatrexate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80576-83-6 (retrieved 2024-11-24) (CAS RN: 80576-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1

InChIKey

InChIKey=FSIRXIHZBIXHKT-MHTVFEQDSA-N

SMILES

NC=1C2=C(N=CC(CC(CC)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1

Canonical SMILES

O=C(O)CCC(NC(=O)C1=CC=C(C=C1)C(CC=2N=C3C(=NC2)N=C(N=C3N)N)CC)C(=O)O

Other Names for this Substance

  • L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]propyl]benzoyl]-
  • N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]propyl]benzoyl]-L-glutamic acid
  • 10-Ethyl-10-deazaaminopterin
  • Edatrexate
  • CGP 30694

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CAS INSIGHTSTM
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