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O-Desmethylsulpiride

CAT: 0572-TRC-D252670-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D252670-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67381-52-6
Synonyms
(RS)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulphamoylbenzamide; (RS)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulphamoylbenzamide; Sulpiride Imp. G (EP); O-Desmethylsulpiride; Sulpiride Impurity G
Hazard Statement
No Data Available
Smiles
CCN1CCCC1CNC(=O)c2cc(ccc2O)S(=O)(=O)N
Molecular Formula
C14 H21 N3 O4 S
Molecular Weight
327.4
InChI
InChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)
Additionnal Information
IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide
Shipping Conditions
Room Temperature

Chemical Information

5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxybenzamide
CAS Number67381-52-6
PubChem CID129318232
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide
Molecular FormulaC14H21N3O4S
Molecular Weight327.40
XLogP0.8
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity491
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)O
InChI
InChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)
InChIKey
NFLGNXQFVLJJEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxybenzamide
CAS: 67381-52-6
CID: 129318232
Formula: C14H21N3O4S
MW: 327.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.40
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass327.12527733
Monoisotopic Mass327.12527733
Topological Polar Surface Area121 Ų
Heavy Atom Count22
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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