Etoposide Phosphate
Basic information
- CAS
117091-64-2- Standard SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O- InChIKey
LIQODXNTTZAGID-OCBXBXKTSA-N- Molecular formula
- C29H33O16P
- Average molar mass
- 668.5 g/mol
- Monoisotopic mass
- 668.15062196
Overview
Etoposide phosphate is a furonaphthodioxole.
Names & identifiers
- Preferred name
- Etoposide Phosphate
- IUPAC
- [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
- English name
- Etoposide phosphate
- Molecular formula
- C29H33O16P
- Molecular weight
- 668.54
Names & synonyms
ETOPOSIDE PHOSPHATE117091-64-2EtopofosEtopophosBMY-40481VepesideEtopophos Preservative FreeBMY 40481528XYJ8L1NBMY-40481-30DTXCID6028571RefChem:56692
Show more names
ETOPOSIDE PHOSPHONATEETOPOSIDEPHOSPHATE,ETOPOPHOSEtoposide Phosphate (200 mg)Etoposide phosphate（BMY-40481)Etoposide phosphate≥ 98% (HPLC)
DTXSID9048645Etoposide 4'-PhosphateEtoposide phosphate [USAN]VP16C29H33O16PEtophosEtoposide phosphate (USAN)Etoposide Phosphate (Etopophos)
Database identifiers
- CAS
117091-64-2- PubChem CID
- 6918092
- ChEMBL
CHEMBL1200645- ChEBI
CHEBI:135867- UNII
- 528XYJ8L1N
- EC Number
- 630-364-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,140
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Boiling point
- 907.7 · 907.7±75.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.13 · 1.13±0.50(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 125 mg/mL · Water: 125 mg/mL (186.97 mM)
- InChIKey
- LIQODXNTTZAGID-OCBXBXKTSA-N
- SMILES
- O=C1OC[C@]2([H])[C@@H](C3=CC4OCOC=4C=C3[C@@H](C3C=C(C(=C(C=3)OC)OP(O)(O)=O)OC)[C@]21[H])O[C@H]1[C@@H]([C@H]([C@]2([H])O[C@@H](OC[C@@]2([H])O1)C)O)O
- NCI Dictionary of Cancer Terms
- Etopophos; etoposide phosphate
- FDA UNII
- 528 XYJ8L1N · 528XYJ8L1N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (50%): Flammable solid [Danger Flammable solids]
P203, P210, P240, P241, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2938909090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H350-H361d-H412
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Carc. 1BRepr. 2
- Precautionary statements
- P202-P264-P270-P273-P301+P312-P308+P313
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
ETOPOSIDE PHOSPHATE
Topoisomerase Inhibitors [MoA]; Topoisomerase Inhibitor [EPC]
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Applications
UsesAs a bioequivalent prodrug of the DNA topoisomerase II inhibitor Etoposide (E933750), Etoposide phosphate can be used in the treatment of a wide variety of hematological malignancies and solid tumors.
Additional notes
DefinitionChEBI: Etoposide phosphate is a furonaphthodioxole.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…