[(E)-4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl]2-acetyloxyacetate

CAS

10072-48-7

Catalog Number

ACM10072487

Category

Other Products

Molecular Weight

476.503 g/mol

Molecular Formula

C₂₁H₂₄N₄O₇S

MSDS COA Spec Sheet

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Specification

Synonyms

Acefurtiamine, Acefurtiamina, Acefurtiaminum, Acefurtiamine [INN], UNII-6APJ3D1308, CID3037171, LS-10918, (Z)-4-(N-(4-Amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-(2-furoylthio)-3-pentenyl acetoxyacetat, S-Ester of Thio-2-furoic acid with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O-glycolate acetate, 10072-48-7

IUPAC Name

[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate

Canonical SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C

InChI Key

MYBUGVXNAHWTOL-QGOAFFKASA-N

Boiling Point

680.7ºC at 760mmHg

Flash Point

365.4ºC

Density

1.348g/cm³