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3-Isoquinolinecarboxylicacid,2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,(3S)- (103775-10-6)

Identification
Name:3-Isoquinolinecarboxylicacid,2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,(3S)-
Synonyms:3-Isoquinolinecarboxylicacid,2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,[3S-[2[R*(R*)],3R*]]-;Moclobenid;Moexipril;RS 10085;
CAS:103775-10-6
Molecular Formula: C27H34N2O7
Molecular Weight: 498.57
InChI: InChI=1/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
Molecular Structure: (C27H34N2O7) 3-Isoquinolinecarboxylicacid,2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-te...
Properties
Flash Point: 382.8°C
Boiling Point: 709.3°Cat760mmHg
Density:1.221g/cm3
Refractive index:1.564
Specification:

The 3-Isoquinolinecarboxylicacid,2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,(3S)- , with the CAS register number 103775-10-6, has other names as MOEXIPRIL ; 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-3-carboxylic acid ; MoexiprilC27H34N207 ; 2-[2-[(1-Ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ; (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid .

The characteristics of this chemical are as the following: (1)#H bond acceptors:  9  ; (2)#H bond donors:  2  ; (3)#Freely Rotating Bonds:  ; (4)12  Polar Surface Area:  94.61 ; (5)Index of Refraction:  1.564  ; (6)Molar Refractivity:  132.86 cm ; (7)Molar Volume:  408.1 cm ; (8)Polarizability:  52.67 × 10-24 cm ; (9)Surface Tension:  50 dyne/cm  ; (10)Density:  1.221 g/cm ; (11)Flash Point:  382.8 °C ; (12)Enthalpy of Vaporization:  108.91 kJ/mol  ; (13)Boiling Point:  709.3 °C at 760 mmHg  ; (14)Vapour Pressure:  4.1E-21 mmHg at 25°C .

This kind of chemical is uaually used in the pharmaceutics. It could have good effect to cure some diseases, such as high blood pressure (hypertension), and then helps prevent some other diseases of strokes, heart attacks and kidney problems. Product categories of this chemical is miscellaneous biochemicals. It belongs to a group of medications called ACE inhibitors. As to the storage method, it should be kept at room temperature, away from moisture and heat.

In addition, you could convert the following data information into the molecular structure:
SMILES:O=C(OCC)[C@@H](N[C@H](C(=O)N2[C@H](C(=O)O)Cc1c(cc(OC)c(OC)c1)C2)C)CCc3ccccc3
InChI:InChI=1/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
InChIKey:UWWDHYUMIORJTA-HSQYWUDLBA

As for its market information, you could find many suppliers in China, such as Hangzhou FST Pharmaceutical Co.,Ltd. and BePharm,Ltd. which could provide this chemical with the packing of   1g;5g;10g;100g;500g;1kg.

Flash Point: 382.8°C
Safety Data
 

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