Chem
J-GLOBAL ID:200907066501526445
Nikkaji number:J122.424G
D-Methotrexate
D-メトトレキサート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H22 N8 O5
Molecular formula furigana:
C20-H22-N8-O5
Molecular weight:
454.447
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)/t13-/m1/s1
InChI key:
FBOZXECLQNJBKD-CYBMUJFWSA-N
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](CCC(=O)O)C(=O)O
Systematic name (5):
(R)-2-[[4-[[(2,4-ジアミノプテリジン-6-イル)メチル](メチル)アミノ]ベンゾイル]アミノ]ペンタン二酸
(R)-2-[p-[[(2,4-ジアミノプテリジン-6-イル)メチル]メチルアミノ]ベンゾイルアミノ]ペンタン二酸
N-[4-[[(2,4-ジアミノプテリジン-6-イル)メチル]メチルアミノ]ベンゾイル]-D-グルタミン酸
(2R)-2-[(4-{[(2,4-ジアミノプテリジン-6-イル)メチル](メチル)アミノ}フェニル)ホルムアミド]ペンタン二酸
(2R)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
Other name (6):
D-メトトレキサート
D-Methotrexate
6-MTX(D)
N-[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]-D-glutamic acid
D-アメトプテリン
D-Amethopterin
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CAS registry number:
51865-79-3
Regulation number (2):
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