Gestrinone
한글명:Gestrinone
카스 번호16320-04-0
상품명:Gestrinone
CBNumberCB3121391
분자식C21H24O2
포뮬러 무게308.41
MOL 파일16320-04-0.mol
화학적 성질
| 녹는점 | 150-152°C |
| 알파 | D20 +84.6° (c = 0.41 in methanol) |
| 끓는 점 | 388.8°C (rough estimate) |
| 밀도 | 1.1040 (rough estimate) |
| 굴절률 | 1.4900 (estimate) |
| 저장 조건 | -20°C Freezer |
| 용해도 | 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) |
| 물리적 상태 | 결정성 고체 |
| 산도 계수 (pKa) | 12.76±0.40(Predicted) |
| 색상 | Off-white to light yellow |
| Merck | 14,4415 |
| 안정성 | 흡습성 |
| 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 데이터베이스 | 16320-04-0(CAS DataBase Reference) |
| RTECS 번호 | JF7964000 |
| 독성 | 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. |
