Methotrexate diethyl ester
CAS Registry Number®
43170-88-3
CAS Name
Methotrexate diethyl esterMolecular Formula
C24H30N8O5Molecular Mass
510.55Cite this Page
Methotrexate diethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=43170-88-3 (retrieved ) (CAS RN: 43170-88-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1
InChIKey
InChIKey=MZRRIAJJDAPQRO-KRWDZBQOSA-N
SMILES
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C3)=N2)N=C(N)N1
Canonical SMILES
O=C(OCC)CCC(NC(=O)C1=CC=C(C=C1)N(C)CC=2N=C3C(=NC2)N=C(N=C3N)N)C(=O)OCC
Other Names for this Substance
- L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1,5-diethyl ester
- L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, diethyl ester
- Methotrexate diethyl ester
- Diethyl methotrexate
Deleted or Replaced CAS Registry Numbers
43111-52-0