Brucine sulfate heptahydrate
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Product Description
Product
Brucine sulfate heptahydrate
CAS
5787-00-8
Formula
C46H52N4O8.H2O4S.7H2O
Synonym
BRUCINE SULFATE HEPTAHYDRATE; COMPONENT; FDA UNII O900CDH328; H2-O; H2-O4-S; Molecular Formula Fragments C46-H52-N4-O8; Molecular Formulas ?Molecular Formula C46-H52-N4-O8.H2-O4-S.7H2-O; Other Registry Number 5787-00-8; Registry Numbers CAS Registry Number 60583-39-3; System Generated Number 0060583393; Systematic Name Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate; UNII-O900CDH328; ; 10,11-DIMETHOXYSTRYCHNINE SULFATE, HEPTAHYDRATE; 2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate; Brucine sulfate (21) heptahydrate
Typical Product Specifications
Molecular weight
1,013.12
SMILES
O.O.O.O.O.O.O.COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.COc8cc9N%10[C@H]%11[C@@H]%12[C@H](CC%10=O)OCC=C%13CN%14CC[C@]%11([C@@H]%14C[C@H]%12%13)c9cc8OC.OS(=O)(=O)O
InChI
PPJIVFYMRNHHTJ-JYGVWXPPSA-N
InChIKey
1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(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;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......
Notes
Brucine sulfate heptahydrate uses and applications include: In denatured alcohol
Suggested storage of Brucine sulfate heptahydrate: Store in cool, dry place in secure poison area; keep tightly closed
Class
Brucine sulfate heptahydrate
Product Description
Product
Brucine sulfate heptahydrate
CAS
5787-00-8
Formula
C46H52N4O8.H2O4S.7H2O
Synonym
BRUCINE SULFATE HEPTAHYDRATE; COMPONENT; FDA UNII O900CDH328; H2-O; H2-O4-S; Molecular Formula Fragments C46-H52-N4-O8; Molecular Formulas ?Molecular Formula C46-H52-N4-O8.H2-O4-S.7H2-O; Other Registry Number 5787-00-8; Registry Numbers CAS Registry Number 60583-39-3; System Generated Number 0060583393; Systematic Name Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate; UNII-O900CDH328; ; 10,11-DIMETHOXYSTRYCHNINE SULFATE, HEPTAHYDRATE; 2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate; Brucine sulfate (21) heptahydrate
Typical Product Specifications
Molecular weight
1,013.12
SMILES
O.O.O.O.O.O.O.COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.COc8cc9N%10[C@H]%11[C@@H]%12[C@H](CC%10=O)OCC=C%13CN%14CC[C@]%11([C@@H]%14C[C@H]%12%13)c9cc8OC.OS(=O)(=O)O
InChI
PPJIVFYMRNHHTJ-JYGVWXPPSA-N
InChIKey
1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(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;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......
Notes
Brucine sulfate heptahydrate uses and applications include: In denatured alcohol
Suggested storage of Brucine sulfate heptahydrate: Store in cool, dry place in secure poison area; keep tightly closed
Class
