Gestrinone suppliers

Properties

Melting point:：

150-152°C

alpha ：

D20 +84.6° (c = 0.41 in methanol)

Boiling point:：

388.8°C (rough estimate)

Density ：

1.1040 (rough estimate)

refractive index ：

1.4900 (estimate)

storage temp. ：

-20°C Freezer

solubility ：

DMF:20.0(Max Conc. mg/mL);64.85(Max Conc. mM)
DMSO:35.0(Max Conc. mg/mL);113.48(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);64.85(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:5):0.25(Max Conc. mg/mL);81.06(Max Conc. mM)
Water:1.0(Max Conc. mg/mL);3.24(Max Conc. mM)

form ：

A crystalline solid

pka：

12.76±0.40(Predicted)

color ：

Off-white to light yellow

optical activity：

[α]/D +81 to +88°, c =0.4 in ethanol

Merck ：

14,4415

Stability:：

Hygroscopic

InChI：

InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1

InChIKey：

BJJXHLWLUDYTGC-ANULTFPQSA-N

SMILES：

C1C2C(CC[C@]3([H])C=2C=C[C@@]2(CC)[C@@]3([H])CC[C@]2(C#C)O)=CC(=O)C1

CAS DataBase Reference：

16320-04-0(CAS DataBase Reference)

SecurityInformation

Symbol(GHS) ：

GHS08

Signal word ：

Danger

Hazard statements ：

H360-H362

Precautionary statements ：

P201-P260-P263-P264-P270-P308+P313

WGK Germany ：

WGK 3

RTECS ：

JF7964000

Storage Class：

11 - Combustible Solids

Hazard Classifications：

Repr. 2

Toxicity：

mouse,LDLo,intraperitoneal,1gm/kg (1000mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)GASTROINTESTINAL: OTHER CHANGES,Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 16, Pg. 701, 1988.