CAS Registry Number®
60388-53-6
CAS Name
DL-Amethopterin
Molecular Formula
C20H22N8O5
Molecular Mass
454.44
Other Names and Identifiers
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
InChIKey
InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N
SMILES
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(NC(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)N(C)CC=2N=C3C(=NC2)N=C(N=C3N)N)C(=O)O
Other Names for this Substance
- Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
- DL-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
- N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]glutamic acid
- DL-Methotrexate
- DL-Amethopterin
- NSC 117356
- (±)-Methotrexate
- 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Deleted or Replaced CAS Registry Numbers
184883-35-0
