Ninopterin

CAS Registry Number®

2179-16-0
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CAS Name

Ninopterin

Molecular Formula

C20H21N7O6

Molecular Mass

455.42

Cite this Page

Ninopterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2179-16-0 (retrieved 2024-05-21) (CAS RN: 2179-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21N7O6/c1-9(13-8-22-16-15(24-13)18(31)27-20(21)26-16)23-11-4-2-10(3-5-11)17(30)25-12(19(32)33)6-7-14(28)29/h2-5,8-9,12,23H,6-7H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,21,22,26,27,31)/t9?,12-/m0/s1

InChIKey

InChIKey=VNZCGWSZJOIBAK-ACGXKRRESA-N

SMILES

O=C1C=2C(NC=C(C(NC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)C)N2)=NC(N)=N1

Canonical SMILES

O=C1N=C(N=C2NC=C(N=C12)C(NC3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)O)C)N

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[1-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[1-(2-amino-4-hydroxy-6-pteridinyl)ethyl]amino]benzoyl]-, L-
  • L-Glutamic acid, N-[4-[[1-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[1-(2-amino-4-hydroxy-6-pteridinyl)ethyl]amino]benzoyl]-
  • N-[4-[[1-(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-L-glutamic acid

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Deleted or Replaced CAS Registry Numbers

33530-89-1

CAS INSIGHTSTM
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