(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione（CAS号：56420-45-2）

表阿霉素

基本信息

在编辑器中查看

CAS号

56420-45-2

分子式

C27H29NO11

分子量

543.53 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

沸点

617.77°C (rough estimate)

密度

1.3783 (rough estimate)

折射率

1.6400 (estimate)

SMILES

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CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O

InChI

InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1

InChIKey

AOJJSUZBOXZQNB-VTZDEGQISA-N

LogP

0.0012999999999999123

拓扑极性表面积

206.06999999999996 Å²

氢键供体/受体

7 / 12

复杂度

977

同义词与引用数据

英文

EPIRUBICIN [HSDB]
CCRIS 2261
3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
Epirubicinum (INN-Latin)
56420-45-2 (FREE BASE)
Farmorubicin
D07901
NSC 256942
Pidorubicine (INN-French)
Epirubicin free base
Pidorubicine
4' Epi Adriamycin
Epirubicin
(1S,3S)-3-GLYCOLOYL-1,2,3,4,6,11-HEXAHYDRO-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-alpha-L-ARABINO-HEXOPYRANOSIDE
Pidorubicinum (INN-Latin)
AB00698552-13
Epi-doxorubicin
4'-Epiadriamycin
Epirubicine
Epi-DX
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
4' Epiadriamycin
NS00069619
Farmorubicin (TN)
AB00698552-14
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
DM6
CHEBI:47898
Epirubicinum (Latin)
Epirubicinum [Latin]

中文

表阿霉素
表柔比星(表阿霉素)
表比星
表柔比星
表阿霉霉
(8S,10S)-10-[(3'-氨基-2',3',6'-三脱氧-alpha-L-阿拉伯吡喃糖基)-O-]-6,8,11-三羟基-8-羟乙酰基-1-甲氧基-7,8,9,10-四氢并四苯-5,12-二酮
表柔吡星
10-[(3-氨基-2,3,6-三脱氧-Α-L-阿式-己吡喃糖基)氧]-7,8,9,10-四氢-6,8,11-三羟基-8-(羟乙酰基)-甲氧基-(8S-CIS)-并四苯-5,12-二酮
表柔比星、表阿霉素、表比星