Pseudobufarenogin supplier | CasNO.17008-69-4

Name
Bufarenogin
EINECS
CAS No. 17008-69-4
Density 1.349±0.06 g/cm3 (20 ºC 760 Torr)
Solubility
Melting Point
Formula C24H32 O6
Boiling Point 635.8°C at 760 mmHg
Molecular Weight 416.56
Flash Point 218.7°C
Transport Information
Appearance
Safety A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes
Molecular Structure
Hazard Symbols A poison.
Synonyms 5b-Bufa-20,22-dienolide, 3b,12a,14-trihydroxy-11-oxo- (8CI);Pseudobufarenogin;y-Bufarenogin;
PSA 107.97000
LogP 2.39170

Pseudobufarenogin Specification

The Pseudobufarenogin,with the CAS registry number 17008-69-4,is also known as psi-Bufarenogin.It belongs to the product categories of medicines and drugs.This chemical's molecular formula is C2₄H₃₂O₆and molecular weight is 416.50.What's more, its systematic name is (3β,5β,12α)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide.

Physical properties about Pseudobufarenogin are:(1)ACD/LogP: -0.629; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.84; (8)ACD/KOC (pH 7.4): 10.84; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 108.619 cm³; (14)Molar Volume: 308.576 cm³; (15)Surface Tension: 64.318000793457 dyne/cm; (16)Density: 1.35 g/cm³; (17)Flash Point: 218.725 °C; (18)Enthalpy of Vaporization: 107.654 kJ/mol; (19)Boiling Point: 635.849 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C\1O\C=C(/C=C/1)[C@@H]5[C@@]4(C)[C@@H](O)C(=O)[C@@H]3[C@@]2(C)CC[C@H](O)C[C@H]2CC[C@H]3[C@@]4(O)CC5;
(2)InChI:InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,21+,22+,23+,24+/m1/s1;
(3)InChIKey:SOGONHOGEFLVPE-BHZHDSHXSA-N.

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD	intravenous	> 4920ug/kg (4.92mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.

Product Name

Bufarenogin

Pseudobufarenogin Specification

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