Tipiracil Impurity 9

CAT: 1596-AR-T05268-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05268-06Size:250 Units

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CAS Number

99478-59-8

Molecular Formula

C5H3Cl3N2O2

Molecular Weight

229.44

API Name

Tipiracil

Chemical Information

Trifluridine Impurity 33

CAS Number	99478-59-8
PubChem CID	176473258
IUPAC Name	5-chloro-6-(dichloromethyl)-1H-pyrimidine-2,4-dione
Molecular Formula	C5H3Cl3N2O2
Molecular Weight	229.44
XLogP	1
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	274

SMILES

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

InChI

InChI=1S/C5H3Cl3N2O2/c6-1-2(3(7)8)9-5(12)10-4(1)11/h3H,(H2,9,10,11,12)

InChIKey

ICJCZJIKMYVOHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99478-59-8

CID: 176473258

Formula: C5H3Cl3N2O2

MW: 229.44

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.44
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.926010
Monoisotopic Mass	227.926010
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	274
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-T05266-01	Tipiracil Impurity 7
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-T041303-01	Trifluridine/Tipiracil (Tas-102) Impurity C