Probenecid EP Impurity D

CAT: 1596-AR-P32607-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32607-02Size:25 Units

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CAS Number

70190-76-0

Synonyms

Ethyl 4- (dipropylsulfamoyl) benzoate; ProbenecidÂ Ethyl Ester

Molecular Formula

C15H23NO4S

Molecular Weight

313.41

API Name

Probenecid

Chemical Information

Ethyl 4-((dipropylamino)sulfonyl)benzoate

CAS Number	70190-76-0
PubChem CID	17811092
IUPAC Name	ethyl 4-(dipropylsulfamoyl)benzoate
Molecular Formula	C15H23NO4S
Molecular Weight	313.4
XLogP	3.9
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	402

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C15H23NO4S/c1-4-11-16(12-5-2)21(18,19)14-9-7-13(8-10-14)15(17)20-6-3/h7-10H,4-6,11-12H2,1-3H3

InChIKey

ADVZKXPBFUZXGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70190-76-0

CID: 17811092

Formula: C15H23NO4S

MW: 313.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	313.13477939
Monoisotopic Mass	313.13477939
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	402
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-B06664-01	Probenecid EP Impurity A
AR-P32606-01	Probenecid EP Impurity B
AR-T02873-01	Tretinoin EP Impurity D (Isotretinoin EP Impurity D)
AR-P32609-01	Probenecid Impurity 4
AR-P32608-01	Probenecid Impurity 3
AR-D02620-01	Ebastine EP Impurity A (Diphenhydramine EP Impurity D)
AR-C07346-01	Colchicine Impurity D (Thiocolchicoside EP Impurity D)
AR-D01686-01	Dibucaine Impurity D (Cinchocaine EP Impurity D)
AR-L01140-01	Rabeprazole EP Impurity K (Lansoprazole EP Impurity D)
AR-L07008-01	Levocarnitine EP Impurity D

Catalog	Name
RM-P150206-01	Probenecid Impurity 6 (Probenecid Isopropyl Ester)
RM-P150207-01	Probenecid Impurity 7 (Probenecid Methyl Ester)
RM-P150201-01	Probenecid EP Impurity A
RM-P150205-01	Probenecid Impurity 5
RM-P150204-01	Probenecid EP Impurity D
RM-P150202-01	Probenecid EP Impurity B
RM-P150203-01	Probenecid EP Impurity C
FD27163-01	Probenecid