Acetil Acid

CAT: 1596-AR-S01370-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S01370-02Size:25 Units

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CAS Number

147676-78-6

Synonyms

4-ethoxy-3- (1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl) benzoic acid

Molecular Formula

C18H20N4O4

Molecular Weight

356.38

API Name

Sildenafil

Chemical Information

Acetil acid

CAS Number	147676-78-6
PubChem CID	135565085
IUPAC Name	4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzoic acid
Molecular Formula	C18H20N4O4
Molecular Weight	356.4
XLogP	2
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	582

SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)O)OCC)C

InChI

InChI=1S/C18H20N4O4/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(18(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,19,20,23)

InChIKey

UUNWDXYDLDBMRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147676-78-6

CID: 135565085

Formula: C18H20N4O4

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	356.14845513
Monoisotopic Mass	356.14845513
Topological Polar Surface Area	106 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	582
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-A01231	Acetic Acid
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-A03241-01	Acetic Acid-d4
AR-A05412-01	Diiodo Acetic acid
AR-A01228-01	Diethylamino-Acetic acid
AR-A05413-01	Triiodo Acetic acid
AR-R01882-01	Triazolomethylindole-3-Acetic Acid
AR-T03467-01	(2-Ethoxyphenoxy) acetic acid
AR-C05325-01	Hydrocortisone Oxo Acetic Acid

Catalog	Name
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
BIM1576-01	Okadaic acid, free acid