Huperzine B supplier | CasNO.103548-82-9

Name
Huperzine B
EINECS
CAS No. 103548-82-9
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₀N₂O
Boiling Point 533.5 °C at 760 mmHg
Molecular Weight 256.348
Flash Point 216.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lycodin-1(18H)-one,8,15-didehydro-;(-)-Huperzine B;1H-5,10b-Propeno-1,7-phenanthrolin-8(7H)-one,2,3,4,4a,5,6-hexahydro-12-methyl-, [4aR-(4aa,5a,10ba)]-;8,15-Didehydro-1,18-dihydro-1-oxolycodine;Fordimine;Huperzine B;
PSA 44.89000
LogP 2.42090

Huperzine B Specification

The systematic name of Huperzine B is (4aR,5S,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one. With the CAS registry number 103548-82-9, it is also named as Lycodin-1(18H)-one, 8,15-didehydro-. The product's category is Reference Substance. In addition, its molecular formula is C₁₆H₂₀N₂O and molecular weight is 256.34.

The other characteristics of Huperzine B can be summarized as: (1)ACD/LogP: 1.98; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)Polar Surface Area: 23.55 Å²; (5)Index of Refraction: 1.623; (6)Molar Refractivity: 74.39 cm³; (7)Molar Volume: 210.7 cm³; (8)Polarizability: 29.49×10^-24cm³; (9)Surface Tension: 49.3 dyne/cm; (10)Density: 1.21 g/cm³; (11)Flash Point: 216.4 °C; (12)Enthalpy of Vaporization: 80.96 kJ/mol; (13)Boiling Point: 533.5 °C at 760 mmHg; (14)Vapour Pressure: 1.84E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1/C=C\C2=C(/N1)C[C@H]3/C=C(/C)C[C@]24NCCC[C@H]34
(2)InChI: InChI=1/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16-/m0/s1
(3)InChIKey: YYWGABLTRMRUIT-OZVIIMIRBD
(4)Std. InChI: InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16-/m0/s1
(5)Std. InChIKey: YYWGABLTRMRUIT-OZVIIMIRSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	25125ug/kg (25.125mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 117, 1987.
rat	LD50	intraperitoneal	43841ug/kg (43.841mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 117, 1987.

Product Name

Huperzine B

Huperzine B Specification

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