25447-66-9 (二氢一个-Ergocryptine,Dihydro α-Ergocryptine)

快速询单

结构式：

二氢一个-ErgocryptineMOL文件

CAS号：

25447-66-9

中文名称：

二氢一个-Ergocryptine

英文名称：

Dihydro α-Ergocryptine

分子式：

C₃₂H₄₃N₅O₅

分子量：

577.714328050613

二氢一个-Ergocryptine(25447-66-9)名称与标识符

名称

中文别名：

1-(1,2-二氧代-3,3-二甲基戊基)-L脯氨酸-(3-吡啶基)-丙酯;二氢麦角隐亭;二氢一个-Ergocryptine;

英文别名：

Ergotaman-3',6',18-trione,9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,10a)-;Dihydro α-Ergocryptine;Dihydroergocryptine;dihydro-alpha-ergocryptine;Dihydroergocriptine;Dihydroergokryptine;EINECS 246-993-6;alpha-Dihydroergocryptine;EN300-27019944;Dihydro ;BDBM50390994;NCGC00183332-01;202229IR8Y;CAS-25447-66-9;(10alphaH)-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman;BDBM81453;Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-;(6aR,9R,10aR)-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]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6Ar,9R,10aR)-N-[(1S,2R,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]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;A-Ergocryptine;dihydro-.alpha.-ergocryptine;DTXCID5028615;PDSP2_001088;9,10-dihydro-alpha-ergocryptine;9,10-Dihydroergocryptine;UNII-202229IR8Y;SCHEMBL233373;Dihydro a-Ergocryptine;CHEMBL1743263;CHEBI:59919;12'-HYDROXY-2'-(1-METHYLETHYL)-5'.ALPHA.-(2-METHYLPROPYL)-9,10.ALPHA.-DIHYDROERGOTAMAN-3',6',18-TRIONE;Tox21_113078;Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.,10.alpha.)-;Q905717;(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[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),9,12(16),13-tetraene-4-carboxamide;25447-66-9;12'-Hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione;NS00008222;CAS_159729;NSC_159729;D07835;DTXSID5048689;(6aR, 9R, 10aR)-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]-7-methyl-6, 6a, 8, 9, 10, 10a-hexahydro-4H-indolo[4, 3-fg]quinoline-9-carboxamide;DB11274;Alpha-Dihydroergocriptine;

标识符

InChIKey：

PBUNVLRHZGSROC-VTIMJTGVSA-N

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

SMILES：

O1[C@](C(C)C)(C(N2[C@@H](CC(C)C)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2C1)=O