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Podophyllin

CAT: 0286-P21400Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-P21400Size:5 g
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CAS Number
9000-55-9
Synonyms
Podophyllum resin; Podophyllin from Podophyllum emodii
UN Code
UN2811
Pictogram
05 - Corrosive; 06 - Acute Toxicity; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00131926
Hazard Statement
H300 Fatal if swallowed; H310 Fatal in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H330 Fatal if inhaled; H360 May damage fertility or the unborn child; H370 Causes damage to organs.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P262 Do not get in eyes, on skin, or on clothing; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P271 Use only outdoors or in a well-ventilated area; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P307+P311 IF exposed: call a POISON CENTER or doctor/physician; P308+P313 IF exposed or concerned: Get medical advice/attention; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

Podophyllum (resin)

Podophyllin is a resin extracted from the roots of Podophyllum peltatum (American mandrake) and Podophyllum emodi, which contains numerous compounds, amongst which is podophyllin (as well as the drug [podophyllotoxin]). Podophyllin is the principal active component. Podophyllin arrests mitosis in metaphase.

CAS Number9000-55-9
PubChem CID11979494
IUPAC Namebis(8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid);bis(5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one)
Molecular FormulaC88H92O34
Molecular Weight1693.6
Topological Polar Surface Area433
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Heavy Atom Count122
Formal Charge0
Complexity1240
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O
InChI
InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3
InChIKey
KOUZYZCESNTXJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Podophyllum (resin)
CAS: 9000-55-9
CID: 11979494
Formula: C88H92O34
MW: 1693.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1693.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Exact Mass1692.5470000
Monoisotopic Mass1692.5470000
Topological Polar Surface Area433 Ų
Heavy Atom Count122
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Alternative Products

CatalogName
28201-94Podophyllin
286406-01Podophyllin discontinued
FP01532-01Podophyllin resin - from Podophyllum emodii

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