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CAS No.: | 145428-94-0 |
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Name: | BRUCINE DIHYDRATE |
Molecular Structure: | |
Formula: | C23H26N2O4.2H2O |
Molecular Weight: | 430.50 |
Synonyms: | Strychnidin-10-one,2,3-dimethoxy-, dihydrate (9CI);Brucine dihydrate; |
EINECS: | 206-614-7 |
Melting Point: | 174 °C |
Boiling Point: | 633.738°C at 760 mmHg |
Flash Point: | 337.073°C |
Appearance: | white crystalline powder or crystals |
Hazard Symbols: | T+ |
Risk Codes: | R26/28; R52/53 |
PSA: | 69.70000 |
LogP: | 1.98400 |
This chemical is called Strychnidin-10-one, 2,3-dimethoxy-, hydrate (1:2), and its CAS registry number is 145428-94-0. With the molecular formula of C23H26N2O4.2H2O, its molecular weight is 430.50. Additionally, its taste is extremely bitter.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc2c(cc1OC)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6.O.O
2.InChI: InChI=1/C23H26N2O4.2H2O/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;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
3.InChIKey: VWLBJWIPYIYRBM-FIMIILAWBF