9-Bromonoscapine

Base Information

• Chemical Name: 9-Bromonoscapine
• CAS No.: 488721-01-3
• Molecular Formula: C₂₂H₂₂BrNO₇
• Molecular Weight: 492.323
• NSC Number: 733397
• UNII: R2YRH3UHW9
• Nikkaji Number: J2.701.878E
• ChEMBL ID: CHEMBL3323240
• Mol file: 488721-01-3.mol

Synonyms:9-Bromonoscapine;R2YRH3UHW9;CHEMBL3323240;EM-011;(-)-EM-011;(3S)-3-((5R)-9-Bromo-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-1(3H)-isobenzofuranone;(S)-3-((R)-9-Bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one;1(3H)-Isobenzofuranone, 3-((5R)-9-bromo-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-, (3S)-;488721-01-3;(S)-3-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one;UNII-R2YRH3UHW9;SCHEMBL676698;PLMUFLAOTAHIIZ-SJORKVTESA-N;BDBM50055041;NSC733397;AKOS021664082;NSC-733397;1-alpha-methyl-8-methoxy-5-bromo-6,-methylenedioxy-1-(6,7, -dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline;3-{9-BROMO-4-METHOXY-6-METHYL-2H,5H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL}-6,7-DIMETHOXY-1,3-DIHYDRO-2-BENZOFURAN-1-ONE

Chemical Property of 9-Bromonoscapine

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 491.05796
• Heavy Atom Count: 31
• Complexity: 682

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2Br)OCO5)OC
• Isomeric SMILES: CN1CCC2=C([C@@H]1[C@@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2Br)OCO5)OC