Products 400647-59-8

CAS 400647-59-8 appears in our catalog under these names: Doxorubicin–SMCC, Doxorubicin-SMCC 98%, Doxorubicin-SMCC, 98%, 98%, Doxorubicin-SMCC, 98.80%. Offered by: GLPBio, Ambeed, Chemat, MedChemExpress. Available pack sizes: 10mg, 10mM (in 1ml dmso), 25mg, 5mg, 50mg, 100mg, 250mg, 50 mg.

Doxorubicin–SMCC
GLPBio
  • size: 10mg, 10mM (in 1ml dmso), 25mg, 5mg
  • Variants: 5
from 1046.37
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Doxorubicin-SMCC 98%
Ambeed
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 6
from 520.56
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Doxorubicin-SMCC, 98%, 98%
Chemat
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 6
from 400.40
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Doxorubicin-SMCC, 98.80%
MedChemExpress
  • size: 50 mg, 100 mg, 25 mg, 10 mg
  • Variants: 6
from 839.82
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Structural formula: {0} (CAS {1})

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 (CAS 400647-59-8) is a chemical compound with the molecular formula C39H42N2O14 and a molecular weight of 762.8 g/mol. IUPAC name: 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. InChIKey: OTQOQHVWNBKSGU-SAJDXUNTSA-N.

Identity
Molecular formulaC39H42N2O14
Molecular weight762.8 g/mol
IUPAC name4-[(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
InChIKeyOTQOQHVWNBKSGU-SAJDXUNTSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: Doxorubicin-SMCC, N-(4-((2,5-dioxo-2H-pyrrol-1(5H)-yl)methyl)cyclohexane)-Doxorubicin