Baloxavir Marboxil Impurity 6

CAT: 1596-AR-B05994-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B05994-01Size:10 Units

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CAS Number

1985607-70-2

Synonyms

(R) -7- (benzyloxy) -3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione

Molecular Formula

C17H17N3O4

Molecular Weight

327.34

API Name

Baloxavir marboxil

Chemical Information

(R)-7-(Benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione

CAS Number	1985607-70-2
PubChem CID	132572071
IUPAC Name	(3R)-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular Formula	C17H17N3O4
Molecular Weight	327.33
XLogP	1
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	595

SMILES

C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2)OCC4=CC=CC=C4

InChI

InChI=1S/C17H17N3O4/c21-13-6-7-20-15(16(13)24-10-12-4-2-1-3-5-12)17(22)19-8-9-23-11-14(19)18-20/h1-7,14,18H,8-11H2/t14-/m0/s1

InChIKey

HJTRSKVIYMCKJU-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1985607-70-2

CID: 132572071

Formula: C17H17N3O4

MW: 327.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	327.33
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	327.12190603
Monoisotopic Mass	327.12190603
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	595
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B05938-01	Baloxavir Marboxil Impurity 7
AR-B05961-01	Baloxavir Marboxil Impurity 38
AR-B05969-01	Baloxavir Marboxil Impurity 46
AR-B05946-01	Baloxavir Marboxil Impurity 19
AR-B05973-01	Baloxavir Marboxil Impurity 50
AR-B05940-01	Baloxavir Marboxil Impurity 10
AR-B05935-01	Baloxavir Marboxil Impurity 2
AR-B05968-01	Baloxavir Marboxil Impurity 45
AR-B05981-01	Baloxavir Marboxil Impurity 58
AR-B05978-01	Baloxavir Marboxil Impurity 55

Catalog	Name
RM-B011511-01	Baloxavir Marboxil Impurity 11 (Baloxavir Marboxil Enantiomer)
RM-B011540-01	Baloxavir Marboxil Impurity 31
RM-B011539-01	Baloxavir Marboxil Impurity 30
RM-B011544-01	Baloxavir Marboxil Impurity 35
RM-B011620-01	Baloxavir Marboxil Impurity 110
RM-B011614-01	Baloxavir Marboxil Impurity 104
RM-B011608-01	Baloxavir Marboxil Impurity 98
RM-B011602-01	Baloxavir Marboxil Impurity 91
RM-B011636-01	Baloxavir Marboxil Impurity 122
RM-B011538-01	Baloxavir Marboxil Impurity 29