Name: Cabergoline diphosphate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912641
Cas No:85329-89-1
常用名:Cabergoline diphosphate
IUPAC:1-[3-(dimethylamino)propyl]-3-ethyl-1-[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carbonyl]urea; bis(phosphoric acid)
IUPAC:1-[3-(dimethylamino)propyl]-3-ethyl-1-[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carbonyl]urea; bis(phosphoric acid)
InChI key:InChIKey=QCSYJICXNUHBML-CGCNXJRXSA-N

分子式:C26H43N5O10P2
分子量:647.603
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC
SMILES:OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC

Cabergoline diphosphate is a dopamine D2 receptor agonist used for prolactinoma treatment. Cabergoline permits rapid and effective hormonal and tumor control by normalizing prolactin-producing pituitary adenomas levels.

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