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| CAS No.: | 68206-94-0 |
|---|---|
| Name: | Cloricromene |
| Molecular Structure: | |
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| Formula: | C20H26ClNO5 |
| Molecular Weight: | 395.8771 |
| Synonyms: | Aceticacid, [[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]-,ethyl ester (9CI);8-Chlorocarbochromen;AD 6 (pharmaceutical);Cloricromen;Cloricromene; |
| Density: | 1.189 g/cm3 |
| Melting Point: | 221-222.3 °C |
| Boiling Point: | 514.1 °C at 760 mmHg |
| Flash Point: | 264.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 68.98000 |
| LogP: | 3.58100 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:21 Page 1 of 1 1
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Specification
This chemical is called Cloricromene, and its IUPAC name is ethyl 2-[8-chloro-3-(2-diethylaminoethyl)-4-methyl-2-oxochromen-7-yl]oxyacetate. With the molecular formula of C20H26ClNO5, its molecular weight is 395.88. The CAS registry number of this chemical is 68206-94-0, and its Classification Codes are Drug / Therapeutic Agent; Hematologic Agents; Platelet aggregation inhibitors. In addition, this chemical is white solid, and it should be stored at the temperature of 2-8°C. The Cloricromene is harmful if swallowed, so don't contact it with your mouth.
Other characteristics of the Cloricromene can be summarised as followings: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.9; (7)ACD/KOC (pH 5.5): 3.84; (8)ACD/KOC (pH 7.4): 19.57; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 103.29 cm3; (15)Molar Volume: 332.8 cm3; (16)Polarizability: 40.94×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 264.7 °C; (20)Enthalpy of Vaporization: 78.57 kJ/mol; (21)Boiling Point: 514.1 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-10 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)COc2ccc\1c(OC(=O)/C(=C/1C)CCN(CC)CC)c2Cl
(2)InChI: InChI=1/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3
(3)InChIKey: GYNNRVJJLAVVTQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3
(5)Std. InChIKey: GYNNRVJJLAVVTQ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intravenous | 10mg/kg (10mg/kg) | Cardiovascular Drug Reviews. Vol. 9, Pg. 357, 1991. | |
| rat | LD50 | oral | 1250mg/kg (1250mg/kg) | BLOOD: HEMORRHAGE | Cardiovascular Drug Reviews. Vol. 9, Pg. 357, 1991. |