ChemicalBook--->CAS DataBase List--->110221-44-8

110221-44-8

110221-44-8 Structure

110221-44-8 Structure
IdentificationMore
[Name]

Temocapril hydrochloride
[CAS]

110221-44-8
[Synonyms]

TEMOCAPRIL HYDROCHLORIDE
Temocapril Hcl
TemocarpileHCL
Temocarpilhydrochloride
(2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic Acid Hydrochloride
Acecol
CS-622
1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, (2S,6R)-(9CI)
1,4-Thiazepine-4(5H)-acetic acid, 6-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, monohydrochloride, [2S-[2a,6b(R*)]]-
(+)-[(2S,6R)-6-[[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid hydrochloride
(+)-[(2S,6R)-6-[[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid hydrochloride
2-[(2S,6R)-6-[[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)-2,5,6,7-tetrahydro-1,4-thiazepine-4(3H)-yl]acetic acid·hydrochloride
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C23H28N2O5S2.HCl
[MDL Number]

MFCD00933433
[MOL File]

110221-44-8.mol
[Molecular Weight]

513.07
Chemical PropertiesBack Directory
[Appearance]

White To Off-White Solid
[Melting point ]

196-2000C (dec)
[alpha ]

25D +47.7° (c = 1 in DMF)
[storage temp. ]

-20°C Freezer
[solubility ]

DMF (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Usage]

Angiotensin-converting enzyme (ACE) inhibitor. Hydrolyzed in vivo to the active diacid metabolite
[InChIKey]

XDDQNOKKZKHBIX-VQDSPBDZNA-N
[SMILES]

[C@@H]1(SC[C@H](N[C@H](C(=O)OCC)CCC2C=CC=CC=2)C(=O)N(CC(=O)O)C1)C1SC=CC=1.Cl |&1:0,3,5,r|
[CAS DataBase Reference]

110221-44-8(CAS DataBase Reference)
Hazard InformationBack Directory
[Chemical Properties]

White To Off-White Solid
[Uses]

Angiotensin-converting enzyme (ACE) inhibitor. Hydrolyzed in vivo to the active diacid metabolite
[Uses]

angiotensin-converting enzyme inhibitor (ACE-I)
[Description]

Temocapril 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 indicating that temocapril is especially useful for treating hypertensive patients with renal dysfunction. The potential usefulness of temocapril in the treatment of congestive heart failure has been reported.
[Originator]

Sankyo (Japan)
[Definition]

ChEBI: Temocapril hydrochloride is a dipeptide.
[Brand name]

Acecol
[storage]

Store at -20°C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[Toxicity]

LD50 in mice, rats, dogs (mg/kg): >5000, >5000, >800 orally (Koike)
Spectrum DetailBack Directory
[Spectrum Detail]

Temocapril hydrochloride(110221-44-8)1HNMR
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