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Chem
J-GLOBAL ID：200907000431543354
Nikkaji number：J16.988I Bromocriptine
ブロモクリプチン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C32H40BrN5O5
Molecular formula furigana： C32-H40-BR-N5-O5
Molecular weight： 654.606
InChI：
InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
InChI key：
OZVBMTJYIDMWIL-AYFBDAFISA-N
SMILES：
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Systematic name (4)： - 2-ブロモ-12′-ヒドロキシ-2′-イソプロピル-5′α-(2-メチルプロピル)エルゴタマン-3′,6′,18-トリオン
- 2-ブロモ-12′-ヒドロキシ-2′-(1-メチルエチル)-5′α-(2-メチルプロピル)エルゴタマン-3′,6′,18-トリオン
- (4R,7R)-10-ブロモ-N-[(1S,2S,4R,7S)-2-ヒドロキシ-7-(2-メチルプロピル)-5,8-ジオキソ-4-(プロパン-2-イル)-3-オキサ-6,9-ジアザトリシクロ[7.3.0.02,6]ドデカン-4-イル]-6-メチル-6,11-ジアザテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-1(16),2,9,12,14-ペンタエン-4-カルボキサミド
- (4R,7R)-10-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
- ブロモクリプチン
- Bromocriptine
- ブロモエルゴクリプチン
- 2-ブロモ-α-エルゴクリプチン
- 2-ブロモエルゴクリプチン
Show all
Regulation number (4)：
- 8-(2)-1043
- 8-(2)-1044
- KE8250000
- EINECS2471285
KEGG DRUG： D03165
KEGG COMPOUND： C06856
Application (3)：
antiparkinson drug
, dopaminergic drug
, Hormone Antagonists
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