Brucine

Brucine
Names
	IUPAC name 2,3-Dimethoxystrychnidin-10-one
	Systematic IUPAC name (4bR,4b1S,7aS,8aR,8a1R,12aS)-2,3-Dimethoxy-4b1,5,6,7a,8,8a,8a1,11,12a,13-decahydro-14H-12-oxa-7,14a-diaza-7,9-methanocyclohepta[cd]cyclopenta[g]fluoranthen-14-one
	Other names 2,3-Dimethoxystrychnine; 10,11-Dimethoxystrychnine
Identifiers
CAS Number	357-57-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:3193;
ChEMBL	ChEMBL501756 ;
ChemSpider	390579 ;
ECHA InfoCard	100.006.014
EC Number	206-614-7;
IUPHAR/BPS	342;
KEGG	C09084 ;
PubChem CID	442021;
RTECS number	EH8925000;
UNII	6NG17YCK6H ;
UN number	1570
CompTox Dashboard (EPA)	DTXSID2024662 ;
	InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 Key: RRKTZKIUPZVBMF-IBTVXLQLSA-N ; InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 Key: RRKTZKIUPZVBMF-IBTVXLQLBR;
	SMILES O=C7N2c1cc(OC)c(OC)cc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7;
Properties
Chemical formula	C23H26N2O4
Molar mass	394.471 g·mol−1
Melting point	178 °C (352 °F; 451 K)
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H330, H412
Precautionary statements	P260, P264, P270, P271, P273, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Brucine is an alkaloid closely related to strychnine, most commonly found in the Strychnos nux-vomica tree. Brucine poisoning is rare, since it is usually ingested with strychnine, and strychnine is more toxic than brucine. In chemical synthesis, it can be used as a tool for stereospecific chemical syntheses.

Brucine's name derives from this of the genus Brucea, named after James Bruce who brought back Brucea antidysenterica from Ethiopia.

Names

IUPAC name 2,3-Dimethoxystrychnidin-10-one
Systematic IUPAC name (4bR,4b¹S,7aS,8aR,8a¹R,12aS)-2,3-Dimethoxy-4b¹,5,6,7a,8,8a,8a¹,11,12a,13-decahydro-14H-12-oxa-7,14a-diaza-7,9-methanocyclohepta[cd]cyclopenta[g]fluoranthen-14-one
Other names 2,3-Dimethoxystrychnine 10,11-Dimethoxystrychnine
Identifiers
CAS Number	357-57-3^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:3193
ChEMBL	ChEMBL501756^Y
ChemSpider	390579^Y
ECHA InfoCard	100.006.014
EC Number	206-614-7
IUPHAR/BPS	342
KEGG	C09084^Y
PubChem CID	442021
RTECS number	EH8925000
UNII	6NG17YCK6H^Y
UN number	1570
CompTox Dashboard (EPA)	DTXSID2024662
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1^Y Key: RRKTZKIUPZVBMF-IBTVXLQLSA-N^Y InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 Key: RRKTZKIUPZVBMF-IBTVXLQLBR
SMILES O=C7N2c1cc(OC)c(OC)cc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7
Properties
Chemical formula	C₂₃H₂₆N₂O₄
Molar mass	394.471 g·mol⁻¹
Melting point	178 °C (352 °F; 451 K)
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H330, H412
Precautionary statements	P260, P264, P270, P271, P273, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references

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Brucine

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