Temocapril

CAS Registry Number®

111902-57-9
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CAS Name

Temocapril

Molecular Formula

C23H28N2O5S2

Molecular Mass

476.61

Cite this Page

Temocapril.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111902-57-9 (retrieved 2024-03-28) (CAS RN: 111902-57-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1

InChIKey

InChIKey=FIQOFIRCTOWDOW-BJLQDIEVSA-N

SMILES

C(C(O)=O)N1C[C@H](SC[C@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C1=O)C3=CC=CS3

Canonical SMILES

O=C(O)CN1C(=O)C(NC(C(=O)OCC)CCC=2C=CC=CC2)CSC(C=3SC=CC3)C1

Other Names for this Substance

  • 1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, (2S,6R)-
  • 1,4-Thiazepine-4(5H)-acetic acid, 6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, [2S-[2α,6β(R*)]]-
  • (2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
  • Temocapril

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