Avanafil Impurity V

CAT: 1299-RM-A164122-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164122-01Size:10 mg

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CAS Number

330785-99-4

Synonyms

Ethyl 4- ((3-chloro-4-methoxybenzyl) amino) -2-hydroxypyrimidine-5-carboxylate

Molecular Formula

C15H16ClN3O4

Molecular Weight

337.76

Target Alternative Name

Avanafil

Product Name Synonym

Ethyl 4- ((3-chloro-4-methoxybenzyl) amino) -2-hydroxypyrimidine-5-carboxylate

Chemical Information

Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate

CAS Number	330785-99-4
PubChem CID	22665596
IUPAC Name	ethyl 6-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxo-1H-pyrimidine-5-carboxylate
Molecular Formula	C15H16ClN3O4
Molecular Weight	337.76
XLogP	2.6
Topological Polar Surface Area	89
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	521

SMILES

CCOC(=O)C1=C(NC(=O)N=C1)NCC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C15H16ClN3O4/c1-3-23-14(20)10-8-18-15(21)19-13(10)17-7-9-4-5-12(22-2)11(16)6-9/h4-6,8H,3,7H2,1-2H3,(H2,17,18,19,21)

InChIKey

JXDHLYZHVMLIGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330785-99-4

CID: 22665596

Formula: C15H16ClN3O4

MW: 337.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.76
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	337.0829337
Monoisotopic Mass	337.0829337
Topological Polar Surface Area	89 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	521
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-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164245-01	Avanafil Impurity 117
RM-A164244-01	Avanafil Impurity 116
RM-A164263-01	Avanafil Impurity 135
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70