Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01348)
Name	Podofilox
Synonyms	Click to Show/Hide the Synonyms of This API podophyllotoxin; Podofilox; 518-28-5; Condylox; Condyline; (-)-Podophyllotoxin; Wartec; Podophyllinic acid lactone; Podophyllotoxin 7; Warticon; Podophyllum; Podofilox [USAN]; UNII-L36H50F353; Podophyllotoxin, 95%; NSC24818; CHEMBL61; (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; MLS000069495; CHEBI:50305; Podofilox (USAN); MFCD00075290; NSC-24818; L36H50F353; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one; NCGC00022001-05; Podofilm; SMR000059121; NSC 24818; DSSTox_CID_25645; DSSTox_RID_81023; DSSTox_GSID_45645; (5R,5aR,8aR,9R)-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; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; Podocon-25; Podophilox; (5R,5aR,8aR,9R)-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; (5R,9R,5aR,8aR)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,5a,8a-pentahydro-2H -isobenzofurano[5',6'-2,1]benzo[4,5-d]1,3-dioxolan-6-one; CCRIS 565; HSDB 7238; SR-05000001749; MLS002702981; EINECS 208-250-4; Podofillina; Podophylotoxin; AI3-50456; Mayapple isolate; Condylox (TN); CAS-518-28-5; Podophyllotoxin,(S); Prestwick_1018; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-; Podofillina [Italian]; Podophyllotoxin (BAN); PubChem20017; Spectrum_000199; Opera_ID_1397; Prestwick0_000782; Prestwick1_000782; Prestwick2_000782; Prestwick3_000782; Spectrum2_000878; Spectrum4_000592; Spectrum5_001368; UPCMLD-DP035; SCHEMBL42243; BSPBio_000884; BSPBio_002352; KBioGR_001084; KBioSS_000679; MLS001148204; MLS002172467; MLS006010754; MLS006011412; BIDD:GT0123; DivK1c_000292; UNII-16902YVY2B; SPBio_000955; SPBio_002823; BPBio1_000974; CCRIS 4391; DTXSID3045645; UPCMLD-DP035:001; UPCMLD-DP035:002; BCBcMAP01_000165; HMS500O14; KBio1_000292; KBio2_000679; KBio2_003247; KBio2_005815; AMY2648; NINDS_000292; 16902YVY2B; HMS1570M06; HMS2093P16; HMS2097M06; HMS2235A23; HMS3259J19; HMS3714M06; Pharmakon1600-02300332; 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; ALBB-020906; BCP24085; Podophyllotoxin, analytical standard; ZINC3861806; EINECS 232-546-2; Tox21_110874; Tox21_202922; B18-5C; BBL033695; BDBM50035218; CCG-39894; CP0089; NSC759591; STK801918; AKOS000265559; Tox21_110874_1; AC-1656; CS-1185; DB01179; KS-1281; MCULE-9617461427; NC00675; ND-1185; NSC-759591; SDCCGMLS-0066888.P001; IDI1_000292; SMP1_000243; NCGC00022001-03; NCGC00022001-07; NCGC00022001-08; NCGC00022001-09; NCGC00022001-10; NCGC00022001-11; NCGC00022001-13; NCGC00022001-14; NCGC00260468-01; 1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one; HY-15552; NCI60_001981; RD4-6269; ST066914; AB0012227; EN300-52746; C10874; D05529; P-6980; W-5067; 70339-EP2305243A1; 70339-EP2308833A2; 518P285; A828801; Q421193; SR-01000003030; SR-01000003030-3; SR-05000001749-1; SR-05000001749-2; BRD-K47869605-001-05-6; BRD-K47869605-001-18-9; Z1258578359; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0?,?.0??,??]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9R)-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; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 11016-28-7; 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, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]; furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone
Clinical Status	Approved
PubChem CID	10607
Formula	C22H22O8
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI	1S/C22H22O8/c1-25-16-4-10(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/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKey	YJGVMLPVUAXIQN-XVVDYKMHSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=10607"></iframe>
Structure	3D MOL is unavailable		2D MOL
Physicochemical Properties	Molecular Weight	414.4	Topological Polar Surface Area	92.7
	XlogP	2	Complexity	629
	Heavy Atom Count	30	Rotatable Bond Count	4
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	8

Full List of Drug Formulations (DFMs) Containing This API
Podofilox 0.5% solution			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Lactic Acid; Sodium Lactate; Alcohol
Dosage Form	Solution
Company	Actavis Pharma
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Lactic acid	DIG Info	Fetal lung MRC5 cells (IC50 = 23930 nM)	[1]

References
1	Design, synthesis and biological studies of a library of NK1-Receptor Ligands Based on a 5-arylthiosubstituted 2-amino-4,6-diaryl-3-cyano-4H-pyran core: Switch from antagonist to agonist effect by chemical modification. Eur J Med Chem. 2017 Sep 29; 138:644-660.

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