ToP-53 dihydroChloride

Base Information

• Chemical Name: ToP-53 dihydroChloride
• CAS No.: 147238-98-0
• Molecular Formula: C28H36N2O7^.2(HCl)
• Molecular Weight: 585.52
• UNII: R5GM3ZVR4Q
• Mol file: 147238-98-0.mol

Synonyms:ToP-53 dihydroChloride;147238-98-0;TOP-53 dichloride salt;R5GM3ZVR4Q;UNII-R5GM3ZVR4Q;(5R,5aR,8aR,9S)-9-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one;dihydrochloride;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 9-(2-((2-(dimethylamino)ethyl)methylamino)ethyl)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, dihydrochloride, (5R-(5alpha,5abeta,8aalpha,9beta))-;D0H5NX;(5R,5aR,8aR,9S)-9-[2-[2-dimethylaminoethyl(methyl)amino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one dihydrochloride;FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)ETHYL)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, DIHYDROCHLORIDE, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-

Chemical Property of ToP-53 dihydroChloride

Chemical Property:

• PSA: 89.93000
• LogP: 4.64390
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 584.2056069
• Heavy Atom Count: 39
• Complexity: 770

Purity/Quality:

99% ^*data from raw suppliers

TOP-53 DIHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(C)CCC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl.Cl
• Isomeric SMILES: CN(C)CCN(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl.Cl