7-Hydroxymethotrexate

CAS Registry Number®

5939-37-7

CAS Name

7-Hydroxymethotrexate

Molecular Formula

C20H22N8O6

Molecular Mass

470.44

Cite this Page

7-Hydroxymethotrexate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5939-37-7 (retrieved 2024-11-28) (CAS RN: 5939-37-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m0/s1

InChIKey

InChIKey=HODZDDDNGRLGSI-NSHDSACASA-N

SMILES

NC1=C2C(NC(=O)C(CN(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2)=NC(N)=N1

Canonical SMILES

O=C(O)CCC(NC(=O)C1=CC=C(C=C1)N(C)CC2=NC=3C(=NC(=NC3NC2=O)N)N)C(=O)O

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[(2,4-diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-
  • Glutamic acid, N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-
  • L-Glutamic acid, N-[4-[[(2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-
  • Glutamic acid, N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-
  • N-[4-[[(2,4-Diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid

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CAS INSIGHTSTM
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