Podophyllotoxin

Description

Podophyllotoxin · CAS 518-28-5 · C22H22O8. UNII L36H50F353. Melting Point: 228; Melting Point: 114-118 °C; Melting Point: 183 °C.

Identification

CAS Registry Number	518-28-5
PubChem CID	10607
Molecular formula	C22H22O8
IUPAC name	(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
UNII (FDA)	L36H50F353

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Melting Point	228
Melting Point	114-118 °C
Melting Point	183 °C
Melting Point	MP: 114-118 °C (effervescence)
Melting Point	228 °C
Solubility	100
Solubility	1.14e-01 g/L
LogP	1.5
LogP	log Kow = 2.01

Physical description & handling notes

• Light-brown to greenish-yellow powder; Commercial resin preparations contain 5-25% podophyllum. [INCHEM]
• Solid
• Solvated crystals
• Insoluble in ethyl ether, ligroin; slightly soluble in water; soluble in acetone, benzene; very soluble in ethanol, chloroform.
• In water, 150 mg/L at 25 °C /Estimated/
• 8.3X10-15 mm Hg at 25 °C /Estimated/

Regulatory Status

GHS notification summary	2.2% (1 / 46)

GHS Hazard Classification

GHS notification summary	2.2% (1 / 46)
Reported hazard statements	H301 (93.5%), H310 (95.7%), H315 (97.8%), H319 (97.8%), H335 (95.7%)

Documented Uses

• Used in the treatment of warts and corns; [INCHEM]
• For treatment of external genital warts (<i>Condyloma acuminatum</i>).
• Found in the rhizomes of North American Podophyllum peltatum L., Podophyllaceae
• Podophyllin is a complex mixture of crystalline compounds derived from the mayapple plant. The active agent derived from this plant product /is/ podophyllotoxin.
• Precursor of antineoplastics etoposide, teniposide.
• For treatment of external genital warts (Condyloma acuminatum).

Synonyms

podophyllotoxin; Podofilox; 518-28-5; Condylox; (-)-Podophyllotoxin; Podophyllinic acid lactone; Podophyllotoxin 7; Wartec; Warticon; Podofilm; DTXSID3045645; NSC-24818; L36H50F353; DTXCID1025645; CHEBI:50305; 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

Frequently Asked Questions

What are the CAS number and molecular formula of Podophyllotoxin?

CAS 518-28-5; molecular formula C22H22O8; molecular weight — g/mol.

What other names is Podophyllotoxin known by?

podophyllotoxin, Podofilox, 518-28-5, Condylox, (-)-Podophyllotoxin, Podophyllinic acid lactone.

Is Podophyllotoxin classified as hazardous?

2.2% of GHS notifications report no hazard classification (1 of 46).

What are the key physical properties of Podophyllotoxin?

Melting Point: 228; Melting Point: 114-118 °C; Melting Point: 183 °C; Melting Point: MP: 114-118 °C (effervescence).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.