Levonantradol hydrochloride

Base Information

• Chemical Name: Levonantradol hydrochloride
• CAS No.: 70222-86-5
• Molecular Formula: C27H35NO4
• Molecular Weight: 474.03204
• NSC Number: 331615
• UNII: V92884KHRI
• DSSTox Substance ID: DTXSID801016262
• Wikidata: Q27291686
• NCI Thesaurus Code: C81502
• ChEMBL ID: CHEMBL2107412
• Mol file: 70222-86-5.mol

Synonyms:LEVONANTRADOL HYDROCHLORIDE;Levonantradol HCl;70222-86-5;NSC-331615;Levonantradol hydrochloride [USAN];UNII-V92884KHRI;V92884KHRI;CP-50556-1;CP-50,556-1;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 (USAN);(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(((R)-5-phenylpentan-2-yl)oxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl acetate hydrochloride;C27-H35-N-O4.Cl-H;CP 50556-1 hydrochloride;SCHEMBL120795;CHEMBL2107412;DTXSID801016262;NSC331615;AKOS040748739;NSC 331615;D04717;Q27291686;[(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, 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.)-;1, 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, (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, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-;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.))-

Chemical Property of Levonantradol hydrochloride

Chemical Property:

• Boiling Point: 591.7 °C at 760 mmHg
• Flash Point: 311.7 °C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 473.2332863
• Heavy Atom Count: 33
• Complexity: 607

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC(CC2C3=C(N1)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O.Cl
• Isomeric SMILES: C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3OC(=O)C)O[C@H](C)CCCC4=CC=CC=C4)O.Cl