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

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Catalog Number
ACM10072487
Product Name
[(E)-4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl]2-acetyloxyacetate
Structure
Structure
CAS
10072-48-7
Category
Heterocyclic Organic Compound
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
Molecular Weight
476.503 g/mol
Molecular Formula
C21H24N4O7S
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
Exact Mass
476.13700
H-Bond Acceptor
10
H-Bond Donor
1
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