China (Mainland)
Ajulemic acid CAS NO.137945-48-3
- Min.Order: 0 Metric Ton
- Payment Terms: T/T
- Product Details
Keywords
- 137945-48-3
- 137945-48-3
- 137945-48-3
Quick Details
- ProName: Ajulemic acid
- CasNo: 137945-48-3
- Application: he CAS register number of Ajulemic aci...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: he CAS register number of Ajulemic aci...
- LimitNum: 0 Metric Ton
Superiority
he CAS register number of Ajulemic acid is 137945-48-3. It also can be called as 6H-Dibenzo[b,d]pyran-9-carboxylicacid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-,(6aR,10aR)- and the IUPAC name about this chemical is (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid.
Physical properties about Ajulemic acid are: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 78288.63; (6)ACD/BCF (pH 7.4): 1242.52; (7)ACD/KOC (pH 5.5): 64693.43; (8)ACD/KOC (pH 7.4): 1026.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 44.76Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 114.99 cm3; (15)Molar Volume: 368.8 cm3; (16)Polarizability: 45.58x10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Enthalpy of Vaporization: 80.39 kJ/mol; (19)Boiling Point: 495.7 °C at 760 mmHg; (20)Vapour Pressure: 1.2E-10 mmHg at 25°C.
Ajulemic acid is being used for the treatment of neuropathic pain and inflammatory conditions such as arthritis. It may be useful for treating pain and chronic inflammatory conditions where nausea is not present.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C3=C/C[C@@H]1[C@H](c2c(OC1(C)C)cc(cc2O)C(C)(C)CCCCCC)C3
(2)InChI: InChI=1/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
(3)InChIKey: YCHYFHOSGQABSW-RTBURBONBU
(4)Std. InChI: InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
(5)Std. InChIKey: YCHYFHOSGQABSW-RTBURBONSA-N
Details
he CAS register number of Ajulemic acid is 137945-48-3. It also can be called as 6H-Dibenzo[b,d]pyran-9-carboxylicacid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-,(6aR,10aR)- and the IUPAC name about this chemical is (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid.
Physical properties about Ajulemic acid are: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 78288.63; (6)ACD/BCF (pH 7.4): 1242.52; (7)ACD/KOC (pH 5.5): 64693.43; (8)ACD/KOC (pH 7.4): 1026.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 44.76Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 114.99 cm3; (15)Molar Volume: 368.8 cm3; (16)Polarizability: 45.58x10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Enthalpy of Vaporization: 80.39 kJ/mol; (19)Boiling Point: 495.7 °C at 760 mmHg; (20)Vapour Pressure: 1.2E-10 mmHg at 25°C.
Ajulemic acid is being used for the treatment of neuropathic pain and inflammatory conditions such as arthritis. It may be useful for treating pain and chronic inflammatory conditions where nausea is not present.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C3=C/C[C@@H]1[C@H](c2c(OC1(C)C)cc(cc2O)C(C)(C)CCCCCC)C3
(2)InChI: InChI=1/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
(3)InChIKey: YCHYFHOSGQABSW-RTBURBONBU
(4)Std. InChI: InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1
(5)Std. InChIKey: YCHYFHOSGQABSW-RTBURBONSA-N