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CAS No.: | 110221-44-8 |
---|---|
Name: | Temocapril hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C23H28N2O5S2.HCl |
Molecular Weight: | 513.079 |
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; |
EINECS: | 1312995-182-4 |
Density: | 1.33g/cm3 |
Melting Point: | 196-200 °C |
Boiling Point: | 717.4 °C at 760 mmHg |
Flash Point: | 387.7 °C |
Appearance: | white solid powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 153.42000 |
LogP: | 1.28460 |
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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