Tipiracil Impurity A

CAT: 1299-RM-T160201-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T160201-02Size:25 mg

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CAS Number

73742-45-7

Molecular Formula

C5H4Cl2N2O2

Molecular Weight

195

Product Name Synonym

5-chloro-6- (chloromethyl) pyrimidine-2,4 (1H,3H) -dione

Chemical Information

5-Chloro-6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS Number	73742-45-7
PubChem CID	4171056
IUPAC Name	5-chloro-6-(chloromethyl)-1H-pyrimidine-2,4-dione
Molecular Formula	C5H4Cl2N2O2
Molecular Weight	195.00
XLogP	0.3
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	249

SMILES

C(C1=C(C(=O)NC(=O)N1)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)

InChIKey

BXVCXZREYQLVTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73742-45-7

CID: 4171056

Formula: C5H4Cl2N2O2

MW: 195.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.00
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.9649828
Monoisotopic Mass	193.9649828
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	249
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
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
RM-T041303-01	Trifluridine/Tipiracil (Tas-102) Impurity C
RM-T041302-01	Trifluridine/Tipiracil (Tas-102) Impurity B
RM-T041304-01	Trifluridine/Tipiracil (Tas-102) Impurity D
RM-T041300-01	Tipiracil HCl
RM-T041307-01	Tipiracil-13C-15N2 Hcl
RM-T160200-01	Tipiracil HCl discontinued seeRM-T041300
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity