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| Name |
Levonantradol hydrochloride |
EINECS | N/A |
| CAS No. | 70222-86-5 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C27H35NO4 | Boiling Point | 591.7 °C at 760 mmHg |
| Molecular Weight | 474.03204 | Flash Point | 311.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1, 9-Phenanthridinediol, 5,6,6a,7,8,9,10, 10a-octahydro-6-methyl-3- (1-methyl-4-phenylbutoxy)-, 1-acetate, hydrochloride, (6S-(3(S*),6.alpha.,6a.alpha.,9.alpha., 10a.beta.))-;1,9-Phenanthridinediol, 5,6,6a,7,8,9,10, 10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, hydrochloride, (6a,6a.alpha.,9.alpha.,10a.beta.)-;[(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate hydrochloride;1,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, hydrochloride, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-;Levonantradol hydrochloride [USAN];CP 50,556-1;(-)-(6S,6aR,9R,10aR)-5,6,6a,7,8,9,10,10a-Octahydro-6-methyl-3-((R)-1-methyl-4-phenylbutoxy)-1,9-phenanthridinediol 1-acetate, hydrochloride;Levonantradol hydrochloride; |
Levonantradol hydrochloride Specification
The Levonantradol hydrochloride, with the CAS registry number 70222-86-5, is also known as Levonantradol HCl. This chemical's molecular formula is C27H36ClNO4 and molecular weight is 474.03204. Its IUPAC name is called [(6S,6alphaR,9R,10alphaR)-9-hydroxy-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6alpha,7,8,9,10,10alpha-octahydrophenanthridin-1-yl] acetate hydrochloride. This chemical's classification code is Analgesic.
Physical properties of Levonantradol hydrochloride: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Flash Point: 311.7 °C; (7)Enthalpy of Vaporization: 92.82 kJ/mol; (8)Boiling Point: 591.7 °C at 760 mmHg; (9)Vapour Pressure: 7.57E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(Oc2cc(O[C@H](C)CCCc1ccccc1)cc4c2[C@@H]3C[C@H](O)CC[C@H]3[C@@H](N4)C)C
(2)InChI: InChI=1/C27H35NO4.ClH/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25;/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3;1H/t17-,18+,21-,23+,24-;/m1./s1
(3)InChIKey: NSOGAHPJIFTUHV-YINRMENDBI
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