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Valofane

Valofane structure

CAS No:
3258-51-3
Formula:
C10H14N2O4
Chemical Name:
Valofane
Synonyms:
3-Furancarboxamide,N-(aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propen-1-yl)-;Urea,(3-allyltetrahydro-5-methyl-2-oxo-3-furoyl)-;3-Furancarboxamide,N-(aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-;Malonamic acid,2-allyl-N-carbamoyl-2-(2-hydroxypropyl)-,γ-lactone;N-(Aminocarbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propen-1-yl)-3-furancarboxamide;α-Allyl-α-allophanyl-γ-valerolactone;Valofan;Valofane;2-Allophanyl-2-allyl-γ-valerolactone;[5-Methyl-2-oxo-3-(prop-2-en-1-yl)oxolane-3-carbonyl]urea
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Valofane Basic Attributes

Molecular Weight：

226.232

Exact Mass：

226.23

EC Number：

221-857-9

UNII：

X71N6E5IPO

HScode：

2932209090

Characteristics

PSA：

98.5

XLogP3：

1.17040

Density：

1.347 g/cm³

Melting Point：

136 °C

Refractive Index：

1.505

Toxicity：

LD50 intraperitoneal in mouse: 1gm/kg

Drug Information

MeSH Entry Terms：

2-allophenyl-2-allyl-gamma-valerolactone

Valofane Use and Manufacturing

Tranquilizer.

Computed Properties

Molecular Weight:226.23
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:226.09535693
Monoisotopic Mass:226.09535693
Topological Polar Surface Area:98.5
Heavy Atom Count:16
Complexity:353
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes