China (Mainland)
Adelphan CAS NO.8064-04-8
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Keywords
- Adelfan-esidrex
- Adelphan-esidrex
- Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfo
Quick Details
Superiority
The Adelphan is an organic compound with the formula C48H56ClN9O13S2. With the CAS registry number 8064-04-8, it is also named as Adelphan-esidrex. Besides, its molecular weight is 1066.5937.
Physical properties about Adelphan are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 106.92 Å2; (7)Flash Point: 377.2 °C; (8)Enthalpy of Vaporization: 102.48 kJ/mol; (9)Boiling Point: 700.1 °C at 760 mmHg; (10)Vapour Pressure: 1.91E-19 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C33H40N2O9.C8H8N4.C7H8ClN3O4S2/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-8-7-4-2-1-3-6(7)5-10-12-8;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-5H,9H2,(H,11,12);1-2,10-11H,3H2,(H2,9,12,13)/t18-,22+,24-,27-,28+,31+;;/m1../s1
(2)InChIKey: STVQQHRHNAJZRS-IOSAXKQOBC
(3)Std. InChI: InChI=1S/C33H40N2O9.C8H8N4.C7H8ClN3O4S2/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-8-7-4-2-1-3-6(7)5-10-12-8;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-5H,9H2,(H,11,12);1-2,10-11H,3H2,(H2,9,12,13)/t18-,22+,24-,27-,28+,31+;;/m1../s1
(4)Std. InChIKey: STVQQHRHNAJZRS-IOSAXKQOSA-N
Details
The Adelphan is an organic compound with the formula C48H56ClN9O13S2. With the CAS registry number 8064-04-8, it is also named as Adelphan-esidrex. Besides, its molecular weight is 1066.5937.
Physical properties about Adelphan are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 106.92 Å2; (7)Flash Point: 377.2 °C; (8)Enthalpy of Vaporization: 102.48 kJ/mol; (9)Boiling Point: 700.1 °C at 760 mmHg; (10)Vapour Pressure: 1.91E-19 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C33H40N2O9.C8H8N4.C7H8ClN3O4S2/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-8-7-4-2-1-3-6(7)5-10-12-8;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-5H,9H2,(H,11,12);1-2,10-11H,3H2,(H2,9,12,13)/t18-,22+,24-,27-,28+,31+;;/m1../s1
(2)InChIKey: STVQQHRHNAJZRS-IOSAXKQOBC
(3)Std. InChI: InChI=1S/C33H40N2O9.C8H8N4.C7H8ClN3O4S2/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-8-7-4-2-1-3-6(7)5-10-12-8;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-5H,9H2,(H,11,12);1-2,10-11H,3H2,(H2,9,12,13)/t18-,22+,24-,27-,28+,31+;;/m1../s1
(4)Std. InChIKey: STVQQHRHNAJZRS-IOSAXKQOSA-N