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Temocapril hydrochloride

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Name

Temocapril hydrochloride

EINECS 1312995-182-4
CAS No. 110221-44-8 Density 1.33g/cm3
PSA 153.42000 LogP 1.28460
Solubility N/A Melting Point 196-200 °C
Formula C23H28N2O5S2.HCl Boiling Point 717.4 °C at 760 mmHg
Molecular Weight 513.079 Flash Point 387.7 °C
Transport Information N/A Appearance white solid powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 110221-44-8 (Temocapril hydrochloride) Hazard Symbols IrritantXi
Synonyms

1,4-Thiazepine-4(5H)-aceticacid,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*)]]-;Acecol;CS 622;Temocapril HCl;

Article Data 1

Temocapril hydrochloride Specification

Temocapril HCl , with the CAS register number 110221-44-8, is also known to us as 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) .

The characteristics of this chemical are as below: (1)#H bond acceptors:  7  ; (2)#H bond donors:  2  ; (3)#Freely Rotating Bonds:  11  ; (4)Polar Surface Area:  129.69 ; (5)Flash Point:  387.7 °C  ; (6)Enthalpy of Vaporization:  110.06 kJ/mol  ; (7)Boiling Point:  717.4 °C at 760 mmHg ; (8) Vapour Pressure:  1.34E-21 mmHg at 25°C .

It is a kind of white To off-white solid and its usage are as followings: angiotensin-converting enzyme (ACE) inhibitor and hydrolyzed in vivo to the active diacid metabolite. Product categories of this chemical are intermediates & fine Chemicals and pharmaceuticals.

Being an irritant chemicals to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. So while using this chemical, pay more attention. Wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.  

In addition, you could convert the following data information to molecular structure:
SMILES:
Cl.O=C(OCC)[C@@H](N[C@@H]1C(=O)N(C[C@H](SC1)c2sccc2)CC(=O)O)CCc3ccccc3
InChI:
InChI=1/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-ASBZXGSUBZ 

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