Dihydro-beta-erythroidine hydrobromide

Base Information

• Chemical Name: Dihydro-beta-erythroidine hydrobromide
• CAS No.: 29734-68-7
• Molecular Formula: C16H21 N O3 . Br H
• Molecular Weight: 356.30
• UNII: NS1U03GC05
• DSSTox Substance ID: DTXSID80952179
• Wikidata: Q27285025
• ChEMBL ID: CHEMBL1319741
• Mol file: 29734-68-7.mol

Synonyms:Dihydro-beta-erythroidine hydrobromide;29734-68-7;UNII-NS1U03GC05;MLS002172468;NS1U03GC05;(1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one;hydrobromide;Dihydro-|A-erythroidine (hydrobromide);Dihydro-beta-erythroidine hydrogen bromide;beta-ERYTHROIDINE, DIHYDRO-, HYDROBROMIDE;(2S,13bS)-2-Methoxy-2,3,5,6,8,9,10,13-octahydro-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one hydrobromide;CHEMBL1319741;(2S,13BS)-2-METHOXY-2,3,5,6,8,9,10,13-OCTAHYDRO-1H,12H-BENZO[I]PYRANO[3,4-G]INDOLIZIN-12-ONEHYDROBROMIDE;1H,12H-Pyrano[4',3':3,4]pyrido[2,1-i]indol-12-one, 2,3,5,6,8,9,10,13-octahydro-2-methoxy-, hydrobromide (1:1), (2S,13bS)-;DH?E;EU-0100468;SCHEMBL1320306;DTXSID80952179;CHEBI:182188;Dihydro--erythroidine hydrobromide;Dihydro-b-erythroidine hydrobromide;Dihydro-?-erythroidine hydrobromide;Tox21_500468;AKOS024457064;LP00468;Dihydro-beta-erythroidine (hydrobromide);NCGC00093880-01;NCGC00261153-01;BD162627;MS-25571;SMR001254098;HY-107670;.beta.-Erythroidine, dihydro-, hydrobromide;CS-0029149;DIHYDRO-.BETA.-ERYTHROIDINE HYDROBROMIDE;2,7-DIHYDRO-.BETA.-ERYTHROIDINE HYDROBROMIDE;DIHYDRO-.BETA.-ERYTHROIDINE HYDROBROMIDE [MI];Q27285025;.alpha.-Erythroidine, 12,13-didehydro-13,14,?,?-tetrahydro-, hydrobromide;3beta-1,6-Didehydro-14,17-dihydro-3-methoxy-16(15H)-oxaerythrinan-15-one hydrobromide;1H,12H-BENZO(I)PYRANO(3,4-G)INDOLIZIN-12-ONE, 2,3,5,6,8,9,10,13-OCTAHYDRO-2-METHOXY-, HYDROBROMIDE, (1:1), (2S,13BS)-

Chemical Property of Dihydro-beta-erythroidine hydrobromide

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 219-229 °C (decomp)
• Boiling Point: 475.5oC at 760 mmHg
• Flash Point: 241.4oC
• PSA: 38.77000
• LogP: 2.70930
• Storage Temp.: Desiccate at RT
• Solubility.: ethanol: 5mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 355.07831
• Heavy Atom Count: 21
• Complexity: 522

Purity/Quality:

99%, ^*data from raw suppliers

Dihydro-β-erythroidineHydrobromide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1CC=C2CCN3C2(C1)C4=C(CC3)COC(=O)C4.Br
• Isomeric SMILES: CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4.Br
• Uses: Dihydro-β-erythroidine is an alkaloid isolated from the seeds of erythrina and a competitive antagonist at the nicotinic acetylcholine receptor (nAChR).