Etoposide

CAT: 1489-E8480-03Size: 1 gDry Ice: NoHazardous: No

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CAS Number

33419-42-0

Purity

0.98

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 Number	33419-42-0
PubChem CID	36462
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 Formula	C29H32O13
Molecular Weight	588.6
XLogP	0.6
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Heavy Atom Count	42
Formal Charge	0
Complexity	969

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

CAS: 33419-42-0

CID: 36462

Formula: C29H32O13

MW: 588.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	588.6
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Exact Mass	588.18429107
Monoisotopic Mass	588.18429107
Topological Polar Surface Area	161 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	969
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
RM-E151638-01	Mixture Of Etoposide, α-Etoposide and Picro-Etoposide
E066-100MG	Etoposide

Etoposide

Chemical Information

Alternative Products

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