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Etoposide

CAT: 0926-ME09941-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-ME09941-01Size:1 g
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CAS Number
33419-42-0
Synonyms
4′-Demethylepipodophyllotoxin 9- (4,6-O-ethylidene-b-D-glucopyranoside)
MDL Number
MFCD00869325
Smiles
C[C@@H]1OC[C@@H]2[C@@H] (O1) [C@@H] ([C@H] ([C@@H] (O2) O[C@H]3[C@H]4COC (=O) [C@@H]4[C@@H] (C5=CC6=C (C=C35) OCO6) C7=CC (=C (C (=C7) OC) O) OC) O) O
Molecular Formula
C29H32O13
Molecular Weight
588.55 g/mol
Controlled
No

Chemical Information

Etoposide

Etoposide can cause cancer according to California Labor Code. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number33419-42-0
PubChem CID36462
IUPAC Name(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]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular FormulaC29H32O13
Molecular Weight588.6
XLogP0.6
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity969
SMILES
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
InChI
InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
InChIKey
VJJPUSNTGOMMGY-MRVIYFEKSA-N
Chemical Structure
2D Structure
2D structure of Etoposide
CAS: 33419-42-0
CID: 36462
Formula: C29H32O13
MW: 588.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.6
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass588.18429107
Monoisotopic Mass588.18429107
Topological Polar Surface Area161 Ų
Heavy Atom Count42
Formal Charge0
Complexity969
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-E151638-01Mixture Of Etoposide, α-Etoposide and Picro-Etoposide
E066-100MGEtoposide

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