Edatrexate
CAS Registry Number®
80576-83-6
No image available.
CAS Name
EdatrexateMolecular Formula
C22H25N7O5Molecular Mass
467.48Cite 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 ) (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
