麥角克鹼(A-ergocryptine)是一種藥物,分子式C32H41N5O5,分子量575.6984。
基本介紹
- 中文名:麥角克鹼
- 英文名:A-ergocryptine
- 別稱:愛谷克列斯汀鹼
- 化學式:C32H41N5O5
- 分子量::575.6984
- CAS登錄號:511-09-1
- EINECS登錄號:208-121-2
- 熔點:152-154°C
- 危險品運輸編號:UN 1544 6.1/PG 3
麥角克鹼
計算化學數據
Molecular Weight | 575.69844 [g/mol] |
Molecular Formula | C32H41N5O5 |
XLogP | 2.7 |
H-Bond Donor | 3 |
H-Bond Acceptor | 7 |
Rotatable Bond Count | 5 |
Tautomer Count | 2 |
Exact Mass | 575.310769 |
MonoIsotopic Mass | 575.310769 |
Topological Polar Surface Area | 118 |
Heavy Atom Count | 42 |
Formal Charge | 0 |
Complexity | 1190 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 3 |
Undefined Atom StereoCenter Count | 3 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
安全信息
危險品標誌 | |
危險類別碼 | |
安全說明 | 36/37 |
危險品運輸編號 | UN 1544 6.1/PG 3 |
WGK Germany | 3 |
RTECS號 | KE1400000 |
HazardClass | 6.1(b) |
PackingGroup | III |