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PODOPHYLLOTOXIN

PODOPHYLLOTOXIN structure

CAS No:
4354-76-1
Formula:
C22H22O8
Chemical Name:
PODOPHYLLOTOXIN
Synonyms:
PODOPHYLLOTOXIN(P);PODOPHYLLICACIDLACTONE;(5R,5AR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,;5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5alphaH)-one,5,8,8alpha,9-tetrahydro-9-hydroxy-5-(3,4,5-triMethoxyphenyl)-;(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one;(5R,5AR,8A
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

White Crystalline Powder

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one is a furonaphthodioxole.

PODOPHYLLOTOXIN Basic Attributes

Molecular Weight：

414.41

Exact Mass：

414.13100

EC Number：

208-250-4

HScode：

2942000000

Characteristics

PSA：

92.68000

XLogP3：

2.40920

Appearance：

off-white fine crystalline powder

Density：

1.37g/cm3

Melting Point：

183-184 °C(lit.)

Boiling Point：

597.9ºC at 760 mmHg

Flash Point：

210.2ºC

Refractive Index：

1.605

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 3462 6.1/PG 2

wgk germany：

hazard class code：

21-25-36/37/38

safety instructions：

36/37/39-45

RTECS Number：

LV2500000

Marks：

Stability/Shelf Life：

Very Hygroscopic

Drug Information

Metabolism/Metabolites：

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one is a known human metabolite of deoxypodophyllotoxin.

PODOPHYLLOTOXIN Use and Manufacturing

A potent inhibitor of microtubule assembly

Computed Properties

Molecular Weight:414.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:414.13146766
Monoisotopic Mass:414.13146766
Topological Polar Surface Area:92.7
Heavy Atom Count:30
Complexity:629
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes