Chemical Compound

4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide

CAS Registry Number 400647-59-8
返回搜索 申请报价
4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide 结构式
Primary record

4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide

库存
6,778 克
纯度
98.1 %
CAS
400647-59-8

化合物标识与属性

CAS
400647-59-8
PubChem CID
11491172
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C6CCC(CC6)CN7C(=O)C=CC7=O)O
Canonical SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)[C@H](O)[C@H](C)O1

名称与同义词

  • Doxorubicin-SMCC
  • 400647-59-8
  • SCHEMBL29702305
  • BADC-01122
  • EX-A10091
  • AKOS040741665
  • CID11491172
  • BP-24433
  • CID 11491172
  • DA-63005
  • MS-31363
  • HY-116063
  • CS-0063706
  • J3.276.727C
  • G16654
  • A1203054
  • 4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexanecarboxamide
  • 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]cyclohexane-1-carboxamide
  • N-(4-((2,5-dioxo-2H-pyrrol-1(5H)-yl)methyl)cyclohexane)-Doxorubicin
  • (7S,9S)-7,8,9,10-Tetrahydro-6,9,11-trihydroxy-4-methoxy-7-((2R,4S,5S,6S)-4-(4-(2,5-dioxo-1H-pyrrole-1-ylmethyl)cyclohexylcarbonylamino)-5-hydroxy-3,4,5,6-tetrahydro-6-methyl-2H-pyran-2-yl)oxy-9-hydroxyacetylnaphthacene-5,12-dione
  • (8S)-1-Methoxy-6,8alpha,11-trihydroxy-8-(hydroxyacetyl)-10alpha-[3-[4-(2,5-dioxo-3-pyrroline-1-ylmethyl)cyclohexylcarbonylamino]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydronaphthacene-5,12-dione
  • 4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide
  • 4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]cyclohexane-1-carboxamide