Hydrastine hydrochloride

Base Information

• Chemical Name: Hydrastine hydrochloride
• CAS No.: 5936-28-7
• Molecular Formula: C21H21 N O6 . Cl H
• Molecular Weight: 419.862
• European Community (EC) Number: 227-692-9
• UNII: 562PDC2I9K
• DSSTox Substance ID: DTXSID40974771
• Wikidata: Q27261364
• NCI Thesaurus Code: C76032
• ChEMBL ID: CHEMBL1256988
• Mol file: 5936-28-7.mol

Synonyms:Hydrastine hydrochloride;Hydrastine HCl;5936-28-7;beta-Hydrastine hydrochloride;EINECS 227-692-9;UNII-562PDC2I9K;562PDC2I9K;Hydrastine hydrochloride [USP];(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride;Hydrastine, hydrochloride;C21H21NO6.ClH;C21-H21-N-O6.Cl-H;1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, hydrochloride, [S-(R*,S*)]-;Hydrastinhydrochlorid;Prestwick_262;MLS002153888;SCHEMBL1374184;CHEMBL1256988;DTXSID40974771;HMS1569F04;HYDRASTINE HYDROCHLORIDE [MI];HYDRASTINE HYDROCHLORIDE [MART.];HYDRASTINE HYDROCHLORIDE [WHO-DD];LS-76348;SMR001233238;Q27261364;Hydrastine hydrochloride, European Pharmacopoeia (EP) Reference Standard

Chemical Property of Hydrastine hydrochloride

Chemical Property:

• Vapor Pressure: 4.28E-12mmHg at 25°C
• Melting Point: 115°C
• Boiling Point: 548.8oC at 760 mmHg
• Flash Point: 285.7oC
• PSA: 66.46000
• LogP: 3.61310
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 419.1135651
• Heavy Atom Count: 29
• Complexity: 601

Purity/Quality:

99%, ^*data from raw suppliers

Hydrastine hydrochloride European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
• Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl