CAS Registry Number®
59-05-2
CAS Name
Methotrexate
Molecular Formula
C20H22N8O5
Molecular Mass
454.44
Compound Properties
-
Melting Point (1)
195 °C
Source(s)
- (1) Habibi-Yangjeh, Aziz; Bulletin of the Korean Chemical Society, (2008), 29(4), 833-841, CAplus
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
- L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
- Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-
- N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
- CL 14377
- Amethopterin
- 4-Amino-10-methylfolic acid
- 4-Amino-N10-methylpteroylglutamic acid
- N-[p-[[2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-(+)-glutamic acid
- Methotrexate
- MTX
- NSC 740
- R 9985
- Antifolan
- L-Methotrexate
- Amethopterine
- 4-Amino-N10-methylfolic acid
- (+)-Amethopterin
- L-Amethopterin
- Methotrexat-Ebewe
- Ledertrexate
- Emtexate
- Mexate
- Metatrexan
- EMT 25299
- Methylaminopterin
- Rheumatrex
- Methoxtrexate
- Trexall
- Emthexate PF
- Emtrexate
- (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid
- Folitrax
- Folex PFS
- Folex
- Mexate-AQ
- Methotrexate LPF
- Trilem
- Zexate
- Oncotrex
- Methocip
- Merex
- Caditrex
- Remtrex
- Metorex
- Methocel
- LMTX
- Nordimet
- Jylamvo
- Otrexup
- Rasuvo
- MeSH ID: D008727
Deleted or Replaced CAS Registry Numbers
1082707-84-3
