Dichloromethotrexate

CAS Registry Number®

528-74-5
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CAS Name

Dichloromethotrexate

Molecular Formula

C20H20Cl2N8O5

Molecular Mass

523.33

Cite this Page

Dichloromethotrexate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=528-74-5 (retrieved 2024-05-17) (CAS RN: 528-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1

InChIKey

InChIKey=MCEHFIXEKNKSRW-LBPRGKRZSA-N

SMILES

NC=1C2=C(N=CC(CN(C)C3=C(Cl)C=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3Cl)=N2)N=C(N)N1

Canonical SMILES

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

Other Names for this Substance

  • L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
  • Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-
  • Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
  • N-[3,5-Dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
  • 3′,5′-Dichloroamethopterin

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Deleted or Replaced CAS Registry Numbers

88442-77-7

CAS INSIGHTSTM
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