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Phytochemical Database for Neurological Disorders
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Phytochemical Name : Hydrastine
PCNDIDH0063
Pubchem CID : 197835
Molecular formula: C21H21NO6

Molecular weight : 383.400

Canonical SMILES : CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3

Synonymes : HYDRASTINE|118-08-1|beta-Hydrastine|l-Hydrastine|(-)-beta-Hydrastine|(-)-|A-Hydrastine|HYDRASTINE (1R, 9S)|(1R,9S)-beta-Hydrastine|EINECS 204-233-0|Hydrastine [USP]|NSC-757430|BRN 0098575|(-)-B-Hydrastine|DTXSID9025409|CHEBI:69919|UNII-8890V3217X|(-)-Hydrastine|DTXCID905409|8890V3217X|4-27-00-06833 (Beilstein Handbook Reference)|Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-|NSC 757430|(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|6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinoline-5-yl)-1(3H)-isobenzo furan|C21H21NO6|HYDRASTINE (USP-RS)|HYDRASTINE [USP-RS]|60594-55-0|l-beta-Hydrastine|(1R,9S)-(-)-beta-Hydrastine|PHTHALIDE (S)-6,7-DIMETHOXY-3-(R)-(5,6,7,8-TETRAHYDRO-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-|(+/-)-beta-Hydrastine|Beta-(-)-Hydrastine|Hydrastin|NSC646664|(S)-6,7-DIMETHOXY-3-(R)-(6-METHYL-5,6,7,8-TETRAHYDRO-(1,3)DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)ISOBENZOFURAN-1(3H)-ONE|(S)-6,7-Dimethoxy-3-(R)-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one|HYDRASTINE [MI]|5936-28-7|Prestwick0_000581|Prestwick1_000581|Prestwick2_000581|Prestwick3_000581|(1R,9S)-b-Hydrastine|(+/-)-|A-Hydrastine|D0L1JW|(-)-.BETA.-Hydrastine|HYDRASTINE [WHO-DD]|(+)-B-HYDRASTINEHCL|BSPBio_000422|HYDRASTINE (1R 9S)|SCHEMBL337253|SPBio_002641|BPBio1_000466|CHEMBL1256919|HMS2092I18|Pharmakon1600-01500687|HY-B0927|TNP00262|Tox21_200686|(1R,9S)-(-)- beta -Hydrastine|(1R,9S)-(-)-.beta.-Hydrastine|BDBM50027777|LS-597|NSC757430|AKOS024282347|CCG-208523|CS-4396|(1R,9S)-b-Hydrastine(-)-b-Hydrastine|NCGC00017326-01|NCGC00258240-01|3-((5R)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoquinolin-5-yl))( 3S)-6,7-dimethoxy-3-hydroisobenzofuran-1-one|CAS-118-08-1|NCI60_003057|SBI-0206699.P002|HYDRASTINE (CONSTITUENT OF GOLDENSEAL)|HYDRASTINE (CONSTITUENT OF GOLDENSEAL) [DSC]|J-003701|BRD-K02715688-001-01-3|BRD-K02715688-003-03-5|Hydrastine, United States Pharmacopeia (USP) Reference Standard|(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one|(S)-6,7-dimethoxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one|6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-

Structure
3D structure 2D structure
197835
Predicted properties (NCBI Pubchem)

Physicochemical Properties