Basic information
- CAS
86111-26-4- Standard SMILES
CCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2cc(OC(C)=O)ccc21- InChIKey
KSZGVNZSUJHOJA-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Overview
Zindoxifene is a phenylindole.
Names & identifiers
- Preferred name
- Zindoxifene
- IUPAC
- [4-(5-acetyloxy-1-ethyl-3-methylindol-2-yl)phenyl] acetate
- English name
- Zindoxifene
- Molecular formula
- C21H21NO4
- Molecular weight
- 351.4
Names & synonyms
Zindoxifene86111-26-4ZindoxifenoNSC-341952Zindoxifenum1IRS95M8DN5-Acetoxy-2-(4-acetoxyphenyl)-1-ethyl-3-methylindoleDTXSID602353961H-Indol-5-ol, 2-(4-(acetyloxy)phenyl)-1-ethyl-3-methyl-, acetate (ester)RefChem:934536D-16762DTXCID60157887
Show more names
D-167264-(5-acetoxy-1-ethyl-3-methyl-1H-indol-2-yl)phenyl acetate2-[4-(Acetyloxy)phenyl]-1-ethyl-3-methyl-1H-indol-5-ol acetate1H-Indol-5-ol, 2-[4-(acetyloxy)phenyl]-1-ethyl-3-methyl-, 5-acetate
Zindoxifene [INN][4-(5-acetyloxy-1-ethyl-3-methylindol-2-yl)phenyl] acetate1-Ethyl-2-(p-hydroxyphenyl)-3-methylindol-5-ol diacetate (ester)D 16726; NSC 341952Zindoxifenum [Latin]Zindoxifeno [Spanish]UNII-1IRS95M8DNBRN 4885631
Database identifiers
- CAS
86111-26-4- PubChem CID
- 65645
- DTXSID
DTXSID60235396- ChEMBL
CHEMBL32227
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Melting point
- 146 · 146-147 °C(Solv: ethanol (64-17-5))
- Boiling point
- 508.3 · 508.3±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- FDA UNII
- 1 IRS95M8DN · 1IRS95M8DN
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Zindoxifene is a phenylindole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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