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Temocapril hydrochloride

Temocapril hydrochloride structure

CAS No:
110221-44-8
Formula:
C23H28N2O5S2.ClH
Chemical Name:
Temocapril hydrochloride
Synonyms:
1,4-Thiazepine-4(5H)-acetic acid,6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-,hydrochloride (1:1),(2S,6R)-;1,4-Thiazepine-4(5H)-acetic acid,6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-,monohydrochloride,[2S-[2α,6β(R*)]]-;1,4-Thiazepine-4(5H)-acetic acid,6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-,monohydrochloride,(2S,6R)-;CS 622;Temocapril hydrochloride;Acecol
Categories:
Biochemical Engineering > Inhibitors

Description

White To Off-White SolidTemocapril is a novel ACE inhibitor marketed in Japan for the treatment of hypertension. Temocapril is three times more potent than enalapril by oral administration, and has a long duration of action. It is characterized by a rapid onset of action resulting from a fast conversion of temocapril to the active metabolite diacid. Unlike most ACE inhibitors which are excreted mainly through the kidneys, temocapril is excreted predominantly through the biliary route indic

Temocapril hydrochloride is a dipeptide.

Temocapril hydrochloride Basic Attributes

Molecular Weight：

513.076

Exact Mass：

512.121

EC Number：

1312995-182-4

UNII：

8G820I95VP

DSSTox ID：

DTXSID7046914

HScode：

2934999090

Characteristics

PSA：

150

XLogP3：

1.28460

Appearance：

white solid powder

Melting Point：

187 °C (decomp)

Boiling Point：

717.4ºC at 760 mmHg

Flash Point：

387.7ºC

Refractive Index：

1.628

Water Solubility：

H2O: <1 mg/mL

Storage Conditions：

-20°C Freezer

Vapor Pressure：

1.34E-21mmHg at 25°C

Toxicity：

LD50 in mice, rats, dogs (mg/kg): >5000, >5000, >800 orally (Koike)

Specific rotation：

25D +47.7° (c = 1 in DMF)

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Drug Information

MeSH：

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)|A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility. (See all compounds classified as Angiotensin-Converting Enzyme Inhibitors.)

MeSH Entry Terms：

alpha-((2S,6R)-6-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl)acetic acid.HCl

Temocapril hydrochloride Use and Manufacturing

angiotensin-converting enzyme inhibitor (ACE-I)

Computed Properties

Molecular Weight:513.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:512.1206421
Monoisotopic Mass:512.1206421
Topological Polar Surface Area:150
Heavy Atom Count:33
Complexity:644
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Temocapril hydrochloride

CAS No.: 110221-44-8

Content: 99.00%

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