Captopril

CAS Registry Number®

62571-86-2
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CAS Name

Captopril

Molecular Formula

C9H15NO3S

Molecular Mass

217.29

Cite this Page

Captopril.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=62571-86-2 (retrieved 2024-04-25) (CAS RN: 62571-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    103-104 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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

InChIKey=FAKRSMQSSFJEIM-RQJHMYQMSA-N

SMILES

C([C@@H](CS)C)(=O)N1[C@H](C(O)=O)CCC1

Canonical SMILES

O=C(O)C1N(C(=O)C(C)CS)CCC1

Other Names for this Substance

  • L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
  • L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-
  • 1-[(2S)-3-Mercapto-2-methyl-1-oxopropyl]-L-proline
  • SQ 14225
  • Captopril

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Deleted or Replaced CAS Registry Numbers

70903-77-4, 138452-88-7, 225661-74-5, 1620516-90-6

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