English
Structure via PubChem · Public domain (PubChem)
elsamitrucin
Sign in to saveAlso known as elsamicin A
Elsamitrucin (elsamicin A) is a drug used in chemotherapy. Elsamitrucin is chemically related to chartreusin.
Chemical data
- Formula
- C33H35NO13
- Molecular weight
- 653.6 g/mol
- IUPAC name
- 3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
- SMILES
- C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O
- InChIKey
- MGQRRMONVLMKJL-KWJIQSIXSA-N
- XLogP
- 2
- Polar surface area
- 206 Ų
- H-bond donors
- 5
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Oligosaccharide
via ChEMBL · EBI
Research
33 papers- An open-label, dose-escalating phase I study of elsamitrucin (SPI 28090) in treatment of malignant solid tumors in dogs.Journal of veterinary internal medicine · 2011
- Phase II study of elsamitrucin in non-small cell lung cancer.Investigational new drugs · 1994
- Phase II study of elsamitrucin (BMY-28090) for the treatment of patients with refractory/relapsed non-Hodgkin's lymphoma.Investigational new drugs · 1996
- Determination of Elsamitrucin (BMY-28090) in plasma and urine by high-performance liquid chromatography with fluorescence detection.Journal of chromatography · 1993
- Phase I trial and clinical pharmacology of elsamitrucin.Cancer research · 1992
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 653.211
- Has use
- medication
Show 3 more facts
- chemical formula
- C₃₃H₃₅NO₁₃
- canonical SMILES
- CC1C(C(C(C(O1)OC2C(OC(C(C2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O
- isomeric SMILES
- C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
1 sectionsContents
- References
Elsamitrucin (elsamicin A) is a drug used in chemotherapy. Elsamitrucin is chemically related to chartreusin.
== References ==
Excerpted from Wikipedia’s “elsamitrucin” article, available under the CC BY-SA 4.0 licence.