物质名称 | ERGOTAMINE |
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异名/同义词 | 5'.ALPHA.-BENZYL-12'-HYDROXY-2'-METHYL-3',6',18-TRIOXOERGOTAMAN CODERGOCRINE MESILATE IMPURITY C [EP IMPURITY] ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)- ERGOTAMINE ERGOTAMINE [HSDB] ERGOTAMINE [INN] ERGOTAMINE [MI] ERGOTAMINE [VANDF] ERGOTAMINE [WHO-DD] NSC-95090 |
CAS登记号 | 113-15-5 |
物质唯一标识(Unique Ingredient Identifier) | PR834Q503T |
分子式 | C33H35N5O5 |
国际化合物标识(International Chemical Identifier,InChI) | XCGSFFUVFURLIX-VFGNJEKYSA-N |
SMILES | [C@@]12(N(C(=O)[C@@](O1)(NC([C@@H]3C=C4c5c6c([nH]cc6C[C@]4(N(C3)C)[H])ccc5)=O)C)[C@@H](Cc7ccccc7)C(N8[C@]2(CCC8)[H])=O)O |
分子结构式 | |
欧洲化学品管理局注册号(ECHA) | 204-023-9 |
成分类型 | INGREDIENT SUBSTANCE / chemical |
关联数据 |
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扩展资源 |