(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside

Basic Information

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CAS Number

33419-42-0

Molecular Formula

C29H32O13

Molecular Weight

588.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

251°C

Boiling Point

798.054°C at 761 mmHg

Water Solubility

Insoluble in water.

Flash Point

263.6±26.4 °C

Solubility

DMSO: 30 mg/mL

Refractive Index

-110.5 ° (C=0.6, CHCl3)

Vapor Pressure

5.4X10-23 mm Hg at 25 °C /Estimated/

Specific Rotation

-110° ~ -115° (C=0.6, Chloroform)

SMILES

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CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(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

LogP

1.338599999999999

pKa

9.8(at 25℃)

Topological Polar Surface Area

160.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

969

Safety Information

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GHS Hazard Pictograms

H302

H350

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H350 May cause cancer
Carcinogenicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Storage Conditions

2-8℃

Synonyms & References

English

Etoposido [INN-Spanish]
AKOS007930275
s1225
Prestwick 211
(5R,5AR,8AR,9S)-9-((4,6-O-((1R)-ETHANE-1,1-DIYL)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE
ETOPOSIDE [MART.]
9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one
ETOPOSIDE [JAN]
etoposide
AB00438905
CCRIS 2392
121471-01-0
BE164434
Zuyeyidal
ETOPOSIDE [USP MONOGRAPH]
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4,6-O-(1R)-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-
(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
Lastet
DTXSID5023035
Etoposide (VP16)
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(1R)-ethylidene-.beta.-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-
HMS2232L03
Tox21_302201
ETOPOSIDUM [WHO-IP LATIN]
Etoposide,(S)
NCGC00016821-01
HMS2052N05
Epipodophyllotoxin-beta-D-ethyliden-glucoside, 4'-demethyl-
VP-16
VP 16 (pharmaceutical)
HSDB 6517