Estrofurate
Basic information
- CAS
10322-73-3- Standard SMILES
CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccoc1- InChIKey
AEVUURWLDCELOV-AYVPJYCDSA-N- Molecular formula
- C24H26O4
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.18310931
Overview
Estrofurate is a small molecule drug. Estrofurate has a monoisotopic molecular weight of 378.18 Da.
Names & identifiers
- Preferred name
- Estrofurate
- IUPAC
- [(9S,13S,14S,17S)-17-(furan-3-yl)-17-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- Estrofurate
- Molecular weight
- 0
Names & synonyms
Estrofurate10322-73-3EstrofuratoAY-11483[(9S,13S,14S,17S)-17-(furan-3-yl)-17-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate0CDE7T54KWAY-11,48321,23-Epoxy-19,24-dinor-17alpha-chola-1,3,5(10),7,20,22-hexaene-3,17-diol 3-acetateEstrofurato [INN-Spanish]EstrofuratumEstrofurate [USAN:INN]Estrofuratum [INN-Latin]
Show more names
483AY-1117α-(3-Furyl)estra-1,3,5(10),7-tetraene-3,17-diol 3-acetate(17S)-21,23-Epoxy-19,24-dinorchola-1,3,5(10),7,20,22-hexaene-3,17-diol 3-acetate
UNII-0CDE7T54KWAY 11483-16ESTROFURATE [INN]Estrofurate (USAN/INN)17-alpha-(3-Furyl)estra-1,3,5(10),7-tetraene-3,17-diol 3-acetateESTROFURATE [USAN]19,24-Dinorchola-1,3,5(10),7,20,22-hexaene-3,17-diol, 21,23-epoxy-, 3-acetate, (17-alpha)-SCHEMBL570384
Database identifiers
- CAS
10322-73-3- PubChem CID
- 66360
- DTXSID
DTXSID60883114
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Melting point
- 167 °C · 167°C
- Boiling point
- 426.55 °C · 426.55°C (rough estimate)
- Density
- 1.0888 · 1.0888 (rough estimate)
- refractive index
- 1.486 · 1.4860 (estimate)
- FDA UNII
- 0 CDE7T54KW · 0CDE7T54KW
Chemistry & industry
Applications
UsesEstrogen.
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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