FDA全球物质注册数据库(FDA Global Substance Registration System)
物质名称
ERGOVALININE
异名/同义词
(5'.ALPHA.,8.ALPHA.)-12'-HYDROXY-2'-METHYL-5'-(1-METHYLETHYL)ERGOTAMAN-3',6',18-TRIONE
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(1-METHYLETHYL)-, (5'.ALPHA.,8.ALPHA.)-
ERGOVALININE
CAS登记号
3263-56-7
物质唯一标识(Unique Ingredient Identifier)
6JU7Y3H4Q2
分子式
C29H35N5O5
国际化合物标识(International Chemical Identifier,InChI)
BGHDUTQZGWOQIA-KPUJGURZSA-N
SMILES
O[C@@]12O[C@@](C)(NC([C@@H]3CN(C)[C@@]4([H])C(c5cccc6c5c(c[nH]6)C4)=C3)=O)C(=O)N1[C@H](C(=O)N7CCC[C@@]27[H])C(C)C
分子结构式
欧洲化学品管理局注册号(ECHA)
成分类型
INGREDIENT SUBSTANCE / chemical
关联数据
扩展资源
Common Chemistry
Inxight Drugs
NCATS GSRS Full Record
PubChem
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FDA Global Substance Registration System