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Basic information
- CAS
152833-16-4- Standard SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCCN(C)C)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O- InChIKey
YPFPNLDTVOTTIA-QQJYNPJZSA-N- Molecular formula
- C26H32N2O7
- Average molar mass
- 484.549 g/mol
- Monoisotopic mass
- 484.22095136
Names & identifiers
- Preferred name
- 9-{[3-(Dimethylamino)propyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
- IUPAC
- (5R,5aR,8aS,9S)-9-{[3-(Dimethylamino)propyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
- English name
- 4'-O-demethyl-4-((3''-(dimethylamino)propyl)amino)-4-desoxypodophyllotoxin
- Molecular formula
- C26H32N2O7
- Molecular weight
- 484.54
Names & synonyms
4'-O-demethyl-4-((3''-(dimethylamino)propyl)amino)-4-desoxypodophyllotoxinFuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[3-(dimethylamino)propyl]amino]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aS,9S)-
Database identifiers
- CAS
152833-16-4- PubChem CID
- 160366
- DTXSID
DTXSID40934613- ChEMBL
CHEMBL28538- Nikkaji
- J578.310K
Properties
Physicochemical properties
- Boiling point
- 652.644 · 652.644±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.94 · 9.940±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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