PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Brucine
PCNDIDB0142
Pubchem CID : 442021
Molecular formula: C23H26N2O4

Molecular weight : 394.500

Canonical SMILES : COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

Synonymes : BRUCINE|357-57-3|10,11-Dimethoxystrychnine|Brucinum|2,3-Dimethoxystrychnine|(-)-Brucine|l-Brucine|Brucina|Bruzin|2,3-Dimethoxystrychnidin-10-one|Brucine, Anhydrous|Brucin|10,11-Dimethystrychnine|Brucin [German]|Brucina [Italian]|UNII-6NG17YCK6H|6NG17YCK6H|10,11-dimethoxy strychnine|Strychnidin-10-one, 2,3-dimethoxy-|Brucine alkaloid|CHEBI:3193|DTXSID2024662|Dimethoxy strychnine|Brucine hydrate|CCRIS 4754|HSDB 307|NSC-757797|C23H26N2O4|2,3-Dimethoxy-strychnine|EINECS 206-614-7|UN1570|RCRA waste number P018|Strychnine, 2,3-dimethoxy-|BRU (CHRIS Code)|DTXCID204662|145428-94-0|CAS-357-57-3|SMR000112281|Brucine; (2,3-Dimethoxysrychnine)|Brucine; (2,3-Dimethoxystrychnine)|NA1570|RCRA waste no. P018|Estricnidin-10-ona, 2,3-dimetoxi-|63428-84-2|5892-11-5|Strychnidin-10-one, 2,3-dimethoxy-, dihydrate|anhydrous brucine|Bisdesmethylbrucin|UN 1570|NCGC00094861-01|(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one|BRUCINE [VANDF]|BRUCINUM [HPUS]|BRUCINE [HSDB]|BRUCINE [MI]|Brucine, anhydrous, 98%|D0H2UT|BRUCINE [NFLIS-DRUG]|GTPL342|MLS000515808|MLS001424166|SCHEMBL113229|CHEMBL501756|MEGxp0_001865|ACon1_001990|Brucine [UN1570] [Poison]|HMS2052O03|HMS2268L16|Tox21_111349|Tox21_302174|BDBM50401037|AKOS015955678|AKOS024282466|CCG-101078|NC00328|NSC 757797|NCGC00255253-01|NCGC00263445-02|NCGC00384497-01|B0670|B0946|C09084|Q411022|SR-01000712407|Q-100426|SR-01000712407-5|BRD-K68077509-001-01-6|Brucine, European Pharmacopoeia (EP) Reference Standard|(1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one

Structure
3D structure 2D structure
442021
Predicted properties (NCBI Pubchem)

Physicochemical Properties