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Substance Name: Temocapril hydrochloride [USAN:JAN]
RN: 110221-44-8
UNII: 8G820I95VP
InChIKey: XDDQNOKKZKHBIX-ASBZXGSUSA-N

Classification Codes

  • Angiotensin-Converting Enzyme Inhibitors
  • Antihypertensive
  • Antihypertensive Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Protease Inhibitors
  • Reproductive Effect

Molecular Formula

  • C23-H28-N2-O5-S2.Cl-H

Molecular Weight

  • 513.0761
 
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Names and Synonyms

Name of Substance

  • Temocapril hydrochloride
  • Temocapril hydrochloride [USAN:JAN]

Synonyms

  • (+)-(2S,6R)-6-(((1S)-1-Carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 6-ethyl ester, monohydrochloride
  • 1,4-Thiazepine-4-(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, (2S-(2alpha,6beta(R*)))-
  • CS 622
  • CS-622
  • Temocapril HCl
  • Temocapril hydrochloride
  • UNII-8G820I95VP

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110221-44-8

FDA UNII

  • 8G820I95VP

System Generated Number

  • 0110221448

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O5-S2.Cl-H

Molecular Formula Fragments

  • C23-H28-N2-O5-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N2O5S2.ClH/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);1H/t17-,18-,20-;/m0./s1

InChIKey

XDDQNOKKZKHBIX-ASBZXGSUSA-N

Smiles

Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CS[C@@H](CN(CC(=O)O)C2=O)c3cccs3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 800mg/kg (800mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: NAUSEA OR VOMITING
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 1937, 1994.
mouse LD50 intraperitoneal 88mg/kg (88mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3911, 1991.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3911, 1991.
rat LD50 intraperitoneal 253mg/kg (253mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3911, 1991.
rat LD50 oral > 5gm/kg (5000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19, Pg. 3911, 1991.