Products 1396604-07-1

CAS 1396604-07-1 is the registry number for Methotrexate 5-Aminofluorescein Conjugate. Offered by: TRC. Available pack sizes: 5mg.

Methotrexate 5-Aminofluorescein Conjugate
TRC
  • size: 5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-5-oxopentanoic acid (CAS 1396604-07-1) is a chemical compound with the molecular formula C40H33N9O9 and a molecular weight of 783.7 g/mol. IUPAC name: (4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-5-oxopentanoic acid. InChIKey: NJBVWZWEDSHMCQ-LJAQVGFWSA-N.

Identity
Molecular formulaC40H33N9O9
Molecular weight783.7 g/mol
IUPAC name(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-5-oxopentanoic acid
InChIKeyNJBVWZWEDSHMCQ-LJAQVGFWSA-N
SMILESCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O

Computed by PubChem (NCBI)

Synonyms: Methotrexate 5-Aminofluorescein Conjugate