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Substance Name: Temocaprilat [INN:BAN]
RN: 110221-53-9
UNII: 2D6A12Q12R
InChIKey: KZVWEOXAPZXAFB-BQFCYCMXSA-N

Note

  • The diacid of temocapril; active metabolite of angiotensin converting enzyme inhibitor (CS-622).

Molecular Formula

  • C21-H24-N2-O5-S2

Molecular Weight

  • 448.5616
 
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Names and Synonyms

Name of Substance

  • Temocaprilat
  • Temocaprilat [INN:BAN]

Synonyms

  • (+)-(2S,6R)-6-(((1S)-1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
  • RNH 5139
  • RNH-5139
  • RS-5139
  • Temocaprilat
  • UNII-2D6A12Q12R

Systematic Name

  • 1,4-Thiazepine-4(5H)-acetic acid, 6-((1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-

Registry Numbers

CAS Registry Number

  • 110221-53-9

FDA UNII

  • 2D6A12Q12R

System Generated Number

  • 0110221539

Structure Descriptors

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

KZVWEOXAPZXAFB-BQFCYCMXSA-N

Smiles

OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O)c3cccs3