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Methotrexate, dichloro-

View entire compound with spectra: 1 MS (GC)

Methotrexate, dichloro-
SpectraBase Compound ID LTunDZY3GEG
InChI InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
InChIKey MCEHFIXEKNKSRW-UHFFFAOYSA-N
Mol Weight 523.34 g/mol
Molecular Formula C20H20Cl2N8O5
Exact Mass 522.093371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BicLWhJo7Md
Name Methotrexate, dichloro-
CAS Registry Number 528-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20Cl2N8O5
InChI InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
InChIKey MCEHFIXEKNKSRW-UHFFFAOYSA-N
Molecular Weight 523.337 g/mol
SMILES Nc1c2c(nc(n1)N)ncc(n2)CN(C)c1c(Cl)cc(C(NC(C(=O)O)CCC(=O)O)=O)cc1Cl
SPLASH splash10-001i-9110000000-811f13b84946e6449c7a
Source of Spectrum W5-0-0-0
Synonyms N-(3,5-Dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioic acid 2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid 3',5'-Dichloro-4-amino-4-deoxy-n(sup 10)-methylpteroglutamic acid 3',5'-Dichloromethotrexate 3,5-Dichloromethotrexate Amethopterin, 3',5'-dichloro- DCM Dichloroamethopterin Dichloromethotrexate Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L- L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- L-glutamic acid, N-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3,5-dichlorobenzoyl]- 3988-B-129-4 BRN 0073523 CCRIS 4602 NCI-C04875
Wiley ID 1402180