Chem
J-GLOBAL ID:200907018349856979
Nikkaji number:J1.009J
Dihydroergocornine
ジヒドロエルゴコルニン
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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:
C31 H41 N5 O5
Molecular formula furigana:
C31-H41-N5-O5
Molecular weight:
563.699
InChI:
InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1
InChI key:
SEALOBQTUQIVGU-QNIJNHAOSA-N
SMILES:
CC(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′,5′α-ビス(イソプロピル)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′,5′α-ビス(1-メチルエチル)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′,5′α-ジイソプロピルエルゴタマン-3′,6′,18-トリオン
(2R,4R,7R)-N-[(1S,2S,4R,7S)-2-ヒドロキシ-5,8-ジオキソ-4,7-ビス(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-5,8-dioxo-4,7-bis(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 (8):
ジヒドロエルゴコルニン
Dihydroergocornine
9,10α-Dihydro-12′-hydroxy-2′,5′α-diisopropylergotaman-3′,6′,18-trione
9,10-ジヒドロエルゴコルニン
DHO-180
9,10-Dihydroergocornine
9,10α-Dihydro-12′-hydroxy-2′,5′α-bis(1-methylethyl)ergotaman-3′,6′,18-trione
9,10α-Dihydro-12′-hydroxy-2′,5′α-bis(isopropyl)ergotaman-3′,6′,18-trione
Show all
CAS registry number:
25447-65-8
Regulation number (3):
8-(2)-1101
KE1099000
EINECS2469920
Application (2):
dopaminergic drug
, hypotensive drug
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