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Captopril Impurity 34

CAT: 1299-RM-C161834-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C161834-04Size:100 mg
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CAS Number
224626-08-8
Synonyms
(R) -1- ((R) -3- (acetylthio) -2-methylpropanoyl) pyrrolidine-2-carboxylic acid
Molecular Formula
C11H17NO4S
Molecular Weight
259.32
Target Alternative Name
Captopril
Product Name Synonym
(R) -1- ((R) -3- (acetylthio) -2-methylpropanoyl) pyrrolidine-2-carboxylic acid

Chemical Information

Captopril Impurity 34
CAS Number224626-08-8
PubChem CID689017
IUPAC Name(2R)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC11H17NO4S
Molecular Weight259.32
XLogP0.5
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity331
SMILES
C[C@@H](CSC(=O)C)C(=O)N1CCC[C@@H]1C(=O)O
InChI
InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m0/s1
InChIKey
ZNQRGUYIKSRYCI-IONNQARKSA-N
Chemical Structure
2D Structure
2D structure of Captopril Impurity 34
CAS: 224626-08-8
CID: 689017
Formula: C11H17NO4S
MW: 259.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.32
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass259.08782920
Monoisotopic Mass259.08782920
Topological Polar Surface Area100 Ų
Heavy Atom Count17
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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