Methotrexate diethyl ester

CAS Registry Number®

43170-88-3

CAS Name

Methotrexate diethyl ester

Molecular Formula

C24H30N8O5

Molecular Mass

510.55

Cite 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 2024-12-23) (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

CAS INSIGHTSTM
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