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Substance Name: Spirapril [INN:BAN]
RN: 83647-97-6
UNII: 96U2K78I3V
InChIKey: HRWCVUIFMSZDJS-SZMVWBNQSA-N

Classification Codes

  • Angiotensin-Converting Enzyme Inhibitors
  • Antihypertensive Agents
  • Cardiovascular Agents
  • Enzyme Inhibitors
  • Protease Inhibitors

Molecular Formula

  • C22-H30-N2-O5-S2

Molecular Weight

  • 466.62
 
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Names and Synonyms

Results Name

  • Spirapril [INN:BAN]

Name of Substance

  • Spirapril
  • Spirapril [INN:BAN]

Synonyms

  • BRN 4277924
  • Espirapril
  • Espirapril [Spanish]
  • Sch 33844
  • Spirapril
  • Spiraprilum
  • Spiraprilum [Latin]
  • UNII-96U2K78I3V

Systematic Name

  • 1,4-Dithia-7-azaspiro(4,4)nonane-8-carboxylic acid, 7-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, (8S-(7(R*(R*)),8R*))-

Registry Numbers

CAS Registry Number

  • 83647-97-6

FDA UNII

  • 96U2K78I3V

System Generated Number

  • 0083647976

Structure Descriptors

InChI

1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1

InChIKey

HRWCVUIFMSZDJS-SZMVWBNQSA-N

Smiles

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Toxicologist. Vol. 5, Pg. 98, 1985.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Toxicologist. Vol. 5, Pg. 98, 1985.
rat LD50 intraperitoneal 600mg/kg (600mg/kg)   Toxicologist. Vol. 5, Pg. 98, 1985.
rat LD50 oral > 2500mg/kg (2500mg/kg)   Toxicologist. Vol. 5, Pg. 98, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.890 (none)   EST
Atmospheric OH Rate Constant 1.32E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.