Tipiracil Impurity 7

CAT: 1596-AR-T05266-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05266-04Size:100 Units

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CAS Number

36327-91-0

Molecular Formula

C5H4N2O3

Molecular Weight

140.10

API Name

Tipiracil

Chemical Information

6-Formyluracil

CAS Number	36327-91-0
PubChem CID	70951
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carbaldehyde
Molecular Formula	C5H4N2O3
Molecular Weight	140.10
XLogP	-1.5
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	231

SMILES

C1=C(NC(=O)NC1=O)C=O

InChI

InChI=1S/C5H4N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)

InChIKey

VUQNLIDVEFIQLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36327-91-0

CID: 70951

Formula: C5H4N2O3

MW: 140.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.10
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.02219199
Monoisotopic Mass	140.02219199
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-T05270-01	Tipiracil Impurity 11
AR-T05268-01	Tipiracil Impurity 9
AR-T05269-01	Tipiracil Impurity 10
AR-T02329-01	Tipiracil Impurity 5
AR-T02328-01	Tipiracil Impurity 4
AR-T05267-01	Tipiracil Impurity 8
AR-T02326-01	Tipiracil Impurity 3 (Trifluridine Impurity 5)
AR-T05265-01	Tipiracil Impurity 6 Chloride
AR-T02325-01	Tipiracil Impurity 2 (Trifluridine Impurity 3)
AR-T02322-01	Tipiracil-d5

Catalog	Name
RM-T160201-01	Tipiracil Impurity A
RM-T041310-01	Tipiracil Impurity 10
GTR19280959-01	Tipiracil impurity 1
CS-O-61990	Tipiracil Amide Impurity
CS-O-40057	Tipiracil Hydroxy Impurity
RM-T090514-01	Tipiracil Impurity 14
RM-T041306-01	Tipiracil Impurity 6
RM-T041301-01	Trifluridine/Tipiracil (Tas-102) Impurity A
RM-T041330-01	Trifluridine/Tipiracil (Tas-102) Impurity 30
RM-T041331-01	Trifluridine/Tipiracil (Tas-102) Impurity 31