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Captopril-d3

CAT: 1596-AR-C01292-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01292-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356383-38-4
Synonyms
(S) -1- ((S) -3-mercapto-2-methylpropanoyl) pyrrolidine-2-carboxylic acid-D3; (2S) -1- (3-Marcapto-2-methyl-1-oxopionyl]-L-proline-2,5,5-d3; SQ-14225-d3
Molecular Formula
C9H12NO3SD3
Molecular Weight
220.31
API Name
Captopril

Chemical Information

Captopril-d3
CAS Number1356383-38-4
PubChem CID71314500
IUPAC Name(2S)-2,5,5-trideuterio-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC9H15NO3S
Molecular Weight220.31
XLogP0.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity244
SMILES
[2H][C@]1(CCC(N1C(=O)[C@H](C)CS)([2H])[2H])C(=O)O
InChI
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i4D2,7D
InChIKey
FAKRSMQSSFJEIM-SIHDFBQLSA-N
Chemical Structure
2D Structure
2D structure of Captopril-d3
CAS: 1356383-38-4
CID: 71314500
Formula: C9H15NO3S
MW: 220.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.31
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass220.09609475
Monoisotopic Mass220.09609475
Topological Polar Surface Area58.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity244
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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AR-C01313-01Captopril Related Compound 2-d3
AR-C01311-01Captopril Related Compound 1-d3
AR-C01315-01Captopril Related Compound 3-d3
AR-C01317-01Captopril Related Compound 4-d3
AR-C01291-01Captopril
AR-C01290-01Captopril EP Impurity A (Captopril Disulfide)
AR-C01319-01D-Captopril
AR-C06013-01Captopril EP Impurity A-d6 (Captopril Disulfide-d6)
AR-C01307-01Captopril-13C5

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HY-B0368SCaptopril-d3
TRC-C175766-25MGCaptopril-cysteine Disulfide-D3
464937-01S- (3-Acetylanisole-d3) Captopril
TRC-A168532-100MGS-(3-Acetylanisole-d3) Captopril-13CD3
FC19675-01Captopril

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