Aminopterin

CAS Registry Number®

54-62-6

CAS Name

Aminopterin

Molecular Formula

C19H20N8O5

Molecular Mass

440.41

Cite this Page

Aminopterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54-62-6 (retrieved 2024-11-24) (CAS RN: 54-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1

InChIKey

InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N

SMILES

NC=1C2=C(N=CC(CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1

Canonical SMILES

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

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-
  • N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
  • NSC 739
  • Aminopterin

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Deleted or Replaced CAS Registry Numbers

120382-78-7, 64801-55-4

CAS INSIGHTSTM
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