D-Captopril

CAT: 1299-RM-C161829-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C161829-04Size:100 mg

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CAS Number

119238-52-7

Synonyms

(R) -1- ((S) -3-mercapto-2-methylpropanoyl) pyrrolidine-2-carboxylic acid

Molecular Formula

C9H15NO3S

Molecular Weight

217.29

Target Alternative Name

Captopril

Product Name Synonym

(R) -1- ((S) -3-mercapto-2-methylpropanoyl) pyrrolidine-2-carboxylic acid

Chemical Information

1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline

See also: Captopril (annotation moved to).

CAS Number	119238-52-7
PubChem CID	447055
IUPAC Name	(2R)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular Formula	C9H15NO3S
Molecular Weight	217.29
XLogP	0.3
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	244

SMILES

C[C@H](CS)C(=O)N1CCC[C@@H]1C(=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

InChIKey

FAKRSMQSSFJEIM-RNFRBKRXSA-N

Chemical Structure

2D Structure

CAS: 119238-52-7

CID: 447055

Formula: C9H15NO3S

MW: 217.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.29
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	217.07726451
Monoisotopic Mass	217.07726451
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
TRC-C176155-10MG	D-Captopril
HY-B0368C	Epi-D-Captopril
AR-C01303-01	Captopril EP Impurity D
HY-W015332R	Captopril EP Impurity D (Standard)
FC19675-01	Captopril