Avanafil Impurity 38

CAT: 1596-AR-A07509-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07509-01Size:10 Units

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CAS Number

1562434-91-6

Molecular Formula

C14H14ClN3O4S

Molecular Weight

355.039

API Name

Avanafil

Chemical Information

Avanafil Impurity 37

CAS Number	1562434-91-6
PubChem CID	118157672
IUPAC Name	4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfinylpyrimidine-5-carboxylic acid
Molecular Formula	C14H14ClN3O4S
Molecular Weight	355.8
XLogP	2.1
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	442

SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)O)S(=O)C)Cl

InChI

InChI=1S/C14H14ClN3O4S/c1-22-11-4-3-8(5-10(11)15)6-16-12-9(13(19)20)7-17-14(18-12)23(2)21/h3-5,7H,6H2,1-2H3,(H,19,20)(H,16,17,18)

InChIKey

HRIQKWQGCKFNFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1562434-91-6

CID: 118157672

Formula: C14H14ClN3O4S

MW: 355.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.8
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	355.0393548
Monoisotopic Mass	355.0393548
Topological Polar Surface Area	121 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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