Avanafil Impurity P

CAT: 1299-RM-A164116-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164116-01Size:10 mg

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CAS Number

330785-81-4

Synonyms

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

Molecular Formula

C16H18ClN3O3S

Molecular Weight

367.85

Target Alternative Name

Avanafil

Product Name Synonym

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

Chemical Information

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

CAS Number	330785-81-4
PubChem CID	22025927
IUPAC Name	ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
Molecular Formula	C16H18ClN3O3S
Molecular Weight	367.9
XLogP	4.2
Topological Polar Surface Area	98.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	405

SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)SC

InChI

InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)

InChIKey

WLOQDGSMJNYRRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330785-81-4

CID: 22025927

Formula: C16H18ClN3O3S

MW: 367.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.9
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	367.0757403
Monoisotopic Mass	367.0757403
Topological Polar Surface Area	98.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	405
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-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74