Temocaprilat

CAS Registry Number®

110221-53-9
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CAS Name

Temocaprilat

Molecular Formula

C21H24N2O5S2

Molecular Mass

448.56

Cite this Page

Temocaprilat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110221-53-9 (retrieved 2024-04-29) (CAS RN: 110221-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1

InChIKey

InChIKey=KZVWEOXAPZXAFB-BQFCYCMXSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1S)-1-carboxy-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, (2S,6R)-
  • 1,4-Thiazepine-4(5H)-acetic acid, 6-[(1-carboxy-3-phenylpropyl)amino]tetrahydro-5-oxo-2-(2-thienyl)-, [2S-[2α,6β(R*)]]-
  • (2S,6R)-6-[[(1S)-1-Carboxy-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
  • RS 5139
  • Temocapril diacid

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