Probenecid Impurity 4

CAT: 1596-AR-P32609-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32609-02Size:25 Units

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CAS Number

1206-37-7

Synonyms

4- (N, N-Dimethylsulfamoyl) benzoic acid

Molecular Formula

C9H11NO4S

Molecular Weight

229.25

API Name

Probenecid

Chemical Information

4-(Dimethylsulfamoyl)benzoic acid

CAS Number	1206-37-7
PubChem CID	14572
IUPAC Name	4-(dimethylsulfamoyl)benzoic acid
Molecular Formula	C9H11NO4S
Molecular Weight	229.26
XLogP	0.6
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	323

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey

DGVPSAQTQGLBAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1206-37-7

CID: 14572

Formula: C9H11NO4S

MW: 229.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.26
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	229.04087901
Monoisotopic Mass	229.04087901
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	323
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-P32608-01	Probenecid Impurity 3
AR-P32606-01	Probenecid EP Impurity B
AR-P32607-01	Probenecid EP Impurity D
AR-P02834-01	Probenecid
AR-P02837-01	Hydroxy Probenecid
AR-P02835-01	Probenecid-d14
AR-P02836-01	Probenecid acyl glucuronide
AR-P29578-01	Probenecid Acyl β-D-Glucuronide
AR-N01600-01	Nintedanib Impurity 4 (Intedanib Impurity 4)

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
B2014-S	Probenecid