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Molnupiravir Dimethyl Dioxol Impurity

CAT: 1596-AR-M05033-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M05033-01Size:10 Units
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CAS Number
2346620-55-9
Synonyms
((3aR,4R,6R,6aR) -6- (4- (hydroxyamino) -2-oxopyrimidin-1 (2H) -yl) -2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl) methyl isobutyrate
Molecular Formula
C16H23N3O7
Molecular Weight
369.37
API Name
Molnupiravir

Chemical Information

((3aR,4R,6R,6aR)-6-((4Z)-4-(Hydroxyimino)-2-oxo-3,4-dihydropyrimidin1(2H)-yl)-2,2-dimethyltetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-yl)methyl2methylpropanoate
CAS Number2346620-55-9
PubChem CID142604243
IUPAC Name[(3aR,4R,6R,6aR)-4-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate
Molecular FormulaC16H23N3O7
Molecular Weight369.37
XLogP-0.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity646
SMILES
CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=NC3=O)NO)OC(O2)(C)C
InChI
InChI=1S/C16H23N3O7/c1-8(2)14(20)23-7-9-11-12(26-16(3,4)25-11)13(24-9)19-6-5-10(18-22)17-15(19)21/h5-6,8-9,11-13,22H,7H2,1-4H3,(H,17,18,21)/t9-,11-,12-,13-/m1/s1
InChIKey
MNKXNZQOZRWRKB-OJAKKHQRSA-N
Chemical Structure
2D Structure
2D structure of ((3aR,4R,6R,6aR)-6-((4Z)-4-(Hydroxyimino)-2-oxo-3,4-dihydropyrimidin1(2H)-yl)-2,2-dimethyltetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-yl)methyl2methylpropanoate
CAS: 2346620-55-9
CID: 142604243
Formula: C16H23N3O7
MW: 369.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.37
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass369.15360008
Monoisotopic Mass369.15360008
Topological Polar Surface Area119 Ų
Heavy Atom Count26
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1006891-01(6aR,6bS,7S,8aS,8bS,11aR,12bR) -7-hydroxy-8b- (2-hydroxyacetyl) -6a,8a-dimethyl-10-propyl-6a,6b,7,8,8a,8b,11a,12b-octahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one (Budesonide Impurity)
OR1100067-01(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS) -7-hydroxy-8b- (2-hydroxyacetyl) -6a,8a-dimethyl-10-propyl-5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one (Budesonide Impurity)
OR1100335(6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -6b-bromo-7-hydroxy-8b- (2-hydroxyacetyl) -6a,8a-dimethyl-10-propyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one (Budesonide Impurity)
OR1100447Triethylamine 2- ((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS) -7-hydroxy-6a,8a-dimethyl-4-oxo-10-propyl-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl sulfate (Budesonide Impurity 33)
OR30497-014,5-Dimethyl-1,3-dioxol-2-one
CS-O-62320Zavegepant Dimethyl Impurity
RM-D130531-01Dimethyl Fumarate Impurity 31
RM-D130528-01Dimethyl Fumarate Impurity 28
RM-D130529-01Dimethyl Fumarate Impurity 29
RM-D130530-01Dimethyl Fumarate Impurity 30

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