Chem
J-GLOBAL ID:200907023025395344   Nikkaji number:J2.292F

Dihydroergokryptine

ジヒドロエルゴクリプチン
Substance type:
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
Molecular formula: C32H43N5O5
Molecular formula furigana: C32-H43-N5-O5
Molecular weight: 577.726
InChI: InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
InChI key: PBUNVLRHZGSROC-VTIMJTGVSA-N
SMILES: CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Systematic name  (5):
  • 9,10α-ジヒドロ-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
  • 9,10α-ジヒドロ-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
  • 9,10α-ジヒドロ-12′-ヒドロキシ-2′-イソプロピル-5′α-イソブチルエルゴタマン-3′,6′,18-トリオン
  • (2R,4R,7R)-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),9,12,14-テトラエン-4-カルボキサミド
  • (2R,4R,7R)-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),9,12,14-tetraene-4-carboxamide
Other name (11):
  • ジヒドロエルゴクリプチン
  • ジヒドロ-α-エルゴクリプチン
  • Dihydroergocryptine
  • Dihydro-α-ergocryptine
  • 9,10α-Dihydro-12′-hydroxy-2′-isopropyl-5′α-(2-methylpropyl)ergotaman-3′,6′,18-trion
Show all
CAS registry number: 25447-66-9
Regulation number (2):
  • 8-(2)-1098
  • EINECS2469936
KEGG DRUG: D07835
Application (3):
adrenergic blocking drug ,  dopaminergic drug ,  circulatory drug
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