Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Cariporide

Related Products

Hot Products

Name

Cariporide

EINECS 1592732-453-0
CAS No. 159138-80-4 Density 1.34 g/cm3
PSA 123.99000 LogP 3.10850
Solubility N/A Melting Point 90-94° (dec)
Formula C12H17N3O3S Boiling Point 542.8 °C at 760 mmHg
Molecular Weight 283.351 Flash Point 282.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 159138-80-4 (Cariporide) Hazard Symbols N/A
Synonyms

N-(Diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide;Benzamide,N-(aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)-;Cariporide [INN];N-Carbamimidoyl-4-isopropyl-3-(methylsulfonyl)benzamide;N-(4-Isopropyl-3-methanesulfonyl-benzoyl)-guanidine;HOE 642;N-(Aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)benzamide;

Article Data 2

Cariporide Synthetic route

167764-63-8

3-Methylsulfonyl-4-i-propylbenzoyl Chloride

50-01-1

guanidine hydrochloride

159138-80-4

cariporide

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water at 30 - 40℃; for 4h;
159139-34-1

2-Isopropyl-5-carboxybenzenesulfinic acid

159138-80-4

cariporide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / water; N,N-dimethyl-formamide / 3 h / 60 °C
2: thionyl chloride / toluene / 1 h / Heating / reflux
3: sodium hydroxide / tetrahydrofuran; water / 4 h / 30 - 40 °C
View Scheme
536-66-3

4-Isopropylbenzoic acid

159138-80-4

cariporide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: chlorosulfonic acid / 3 h / 95 °C
2: sodium hydroxide; sodium sulfite / water / 60 °C / pH 9 - 10
3: sodium hydroxide / water; N,N-dimethyl-formamide / 3 h / 60 °C
4: thionyl chloride / toluene / 1 h / Heating / reflux
5: sodium hydroxide / tetrahydrofuran; water / 4 h / 30 - 40 °C
View Scheme
159139-35-2

3-Methanesulfonyl-4-iso-propylbenzoic Acid

159138-80-4

cariporide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / toluene / 1 h / Heating / reflux
2: sodium hydroxide / tetrahydrofuran; water / 4 h / 30 - 40 °C
View Scheme
59815-29-1

3-(chlorosulfonyl)-4-isopropylbenzoic acid

159138-80-4

cariporide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium hydroxide; sodium sulfite / water / 60 °C / pH 9 - 10
2: sodium hydroxide / water; N,N-dimethyl-formamide / 3 h / 60 °C
3: thionyl chloride / toluene / 1 h / Heating / reflux
4: sodium hydroxide / tetrahydrofuran; water / 4 h / 30 - 40 °C
View Scheme
159138-80-4

cariporide

bis(3-methylsulfonyl-4-i-propylbenzoyl)guanidine

Conditions
ConditionsYield
With potassium carbonate; sodium chloride In hydrogenchloride; diethyl ether; water; N,N-dimethyl-formamide
75-75-2

methanesulfonic acid

159138-80-4

cariporide

(4-isopropyl-3-methanesulfonylbenzoyl)guanidine methanesulfonate

Cariporide Specification

The Cariporide, with the CAS registry number 159138-80-4, is also known as Benzamide,N-(aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)-. This chemical's molecular formula is C12H17N3O3S and molecular weight is 283.35. What's more, its IUPAC name is N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide. Its classification codes are: (1)Anti-Arrhythmia Agents; (2)Cardiovascular Agents. This chemical is a selective Na+-H+ exchange inhibitor. It has been shown to actively suppress the cell death caused by oxidative stress.

Physical properties of Cariporide are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 38.86; (8)ACD/KOC (pH 7.4): 39.3; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.43 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 72.23 cm3; (15)Molar Volume: 210.5 cm3; (16)Polarizability: 28.63×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 282.1 °C; (20)Enthalpy of Vaporization: 82.1 kJ/mol; (21)Boiling Point: 542.8 °C at 760 mmHg; (22)Vapour Pressure: 7.62E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C
(2)InChI: InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
(3)InChIKey: IWXNYAIICFKCTM-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 159138-80-4