Amrubicin hydrochloride（CAS番号：92470-31-0）

Amrubicin hydrochloride

基本情報

編集器で閲覧

CAS番号

92470-31-0

分子式

C25H26ClNO9

分子量

519.9 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

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アミン類

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

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

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

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CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(CO5)O)O)N.Cl

InChI

InChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17-,25-;/m0./s1

InChIKey

BHMLHEQFWVQAJS-IITOGVPQSA-N

LogP

1.0535999999999994

トポロジカル極性表面積

176.61 Å²

水素結合ドナー/アクセプター

6 / 10

複雑度

881

同義語と引用データ

英語

(7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
CHEMBL481958
Amrubicin hydrochloride (JAN/USAN)
Amrubicin (hydrochloride)
Calsed (TN)
Amrubicin hydrochloride
(7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
92470-31-0
Amrubicin HCl
SCHEMBL491010
SM5887
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-6,11-dihydroxy-, hydrochloride, (7S-cis)-
AMRUBICIN HYDROCHLORIDE [JAN]
(+)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)- 6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
110311-30-3
HY-B0067A
5,12-Naphthacenedione, 9-acetyl-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, hydrochloride, (7S,9S)-
SM 5887
AMRUBICIN HYDROCHLORIDE [MI]
D07100
3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-deoxypentopyranoside--hydrogen chloride (1/1)
Amrubicin hydrochloride [USAN]
SM-5887
EUL6MP8FZW
AMRUBICIN HYDROCHLORIDE [WHO-DD]
(+)-(7S,9S)-9-ACETYL-9-AMINO-7-((2-DEOXY-.BETA.-D-ERYTHRO-PENTOPYRANOSYL)OXY)-6,11-DIHYDROXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE
Amrubicinhydrochloride
Calsed
UNII-EUL6MP8FZW
Q27277373
BHMLHEQFWVQAJS-IITOGVPQSA-N