Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N-[5-(Butan-2-yl)-10b-hydroxy-3,6-dioxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid
9,10-Dihydro-β-ergocryptine · DihydroergocristinemesilateEPImpurityI · 5'(S)-sec-butyl-9,10-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione · 5'?(S)-sec-butyl-9,10?-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione · 9,10α-Dihydro-12'-hydroxy-2'-isopropyl-5'α-[(S)-1-methylpropyl]ergotaman-3',6',18-trione · 5'alpha(S)-sec-butyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione · Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-[(1S)-1-methylpropyl]-, (5'α,10α)-
![N-[5-(Butan-2-yl)-10b-hydroxy-3,6-dioxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid 분자 구조식](/img/chemical/3084313.png)
식별자 및 물리적 특성
| CAS No. | 19467-62-0 |
|---|---|
| 분자식 | C32H43N5O5 |
| 평균 분자량 | 577.726 g/mol |
| 단동위원소 질량 | 577.32641948 g/mol |
| SMILES | CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| InChIKey | SBFXHXZNBNFPHV-CROXOCCCSA-N |
| PubChem CID | 3084313 |
| ChEBI | CHEBI:59925 |
| DTXSID | DTXSID90941216 |
화학 및 물리적 성질
| 녹는점 | 194-195 °C |
|---|---|
| 끓는 점 | 848.4±65.0 °C(Predicted) |
| 밀도 | 1.36±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 9.62±0.60(Predicted) |
안전 및 규제
| 신호 어 | Warning |
|---|---|
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302 |
용도
용도
9,10-Dihydro-β-ergocryptine was used in many studies to separate and characterize ergot alkaloids and its derivatives.