113-15-5
中文名称
麦角胺
CAS
113-15-5
分子式
C33H35N5O5
分子量
581.66
MOL 文件
113-15-5.mol
结构式
基本信息
中文别名
麦角胺
英文别名
NSC 95090
ergotamin
ergotamine
Ergotamine (8CI)
12'-Hydroxy-2'-methyl-5'α-benzylergotaman-3',6',18-trione
12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione
6’,18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3(5’-alph
18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-6(5’alpha)-ergotaman-3
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α)-
ergotamin
ergotamine
Ergotamine (8CI)
12'-Hydroxy-2'-methyl-5'α-benzylergotaman-3',6',18-trione
12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione
6’,18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3(5’-alph
18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-6(5’alpha)-ergotaman-3
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α)-
物理化学性质
| 熔点 | 241-249℃ |
| 比旋光度 | D20 -160° (chloroform) |
| 沸点 | 651.33°C (rough estimate) |
| 密度 | 1.0998 (rough estimate) |
| 折射率 | 1.7500 (estimate) |
| 酸度系数(pKa) | pKa 6.40±0.09(H2O t=24.0) (Uncertain) |
| CAS 数据库 | 113-15-5 |
安全数据
| 危险性符号(GHS) |  GHS06 |
| 警示词 | 危险 |
| 危险性描述 | H330-H311-H361-H301 |
| 防范说明 | P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501 |
| 危险品运输编号 | 1544 |
| 危险等级 | 6.1(b) |
| 包装类别 | III |
| 毒性 | LD50 in mice, rats, rabbits (mg/kg): 62, 80, 3 i.v.; in cats: 11 s.c. (Rothlin) |