(5beta,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride (1:1)（CAS番号：155536-45-1）

(5beta,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride (1:1)

基本情報

編集器で閲覧

CAS番号

155536-45-1

分子式

C25H36ClNO4

分子量

450.02 g/mol

化学分類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

SMILES

編集器で閲覧

CCCC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O.Cl

InChI

InChI=1S/C25H35NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25-;/m1./s1

InChIKey

XRHDQSKAXOSHGA-DTUSRQQPSA-N

LogP

3.809400000000004

トポロジカル極性表面積

62.16000000000001 Å²

水素結合ドナー/アクセプター

2 / 5

複雑度

732

同義語と引用データ

英語

UNII-YPU5B72OOI
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DIHYDROETORPHINE HYDROCHLORIDE [WHO-DD]
YPU5B72OOI
155536-45-1
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(5α,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-18,19 -dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride (1:1)
6,14-Ethenomorphinan-7-methanol,4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a,17-dimethyl-a-pr...
6,14-Ethenomorphinan-7-methanol,4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a,17-dimethyl-a-propyl-, hydrochloride (1:1), (aR
XRHDQSKAXOSHGA-KUWVYCAYSA-N
6,14-Ethenomorphinan-7-methanol, 18,19-dihydro, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, hydrochloride, (alphar,5alpha,7alpha)-