Basic information
- CAS
53716-43-1- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)COc1nn(Cc2ccccc2)c2ccccc12- InChIKey
DYVIEGCPUPGXOH-HGGPGNIHSA-N- Molecular formula
- C37H42N2O7
- Average molar mass
- 626.7 g/mol
- Monoisotopic mass
- 626.29920168
Overview
hydrocortisone-bendazac ester
Names & identifiers
- Preferred name
- (11beta)-11,17-Dihydroxy-21-((2-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)acetyl)oxy)pregn-4-ene-3,20-dione
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(1-benzylindazol-3-yl)oxyacetate
- English name
- 11beta,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
- Molecular formula
- C37H42N2O7
- Molecular weight
- 626.74
Names & synonyms
Bendacort53716-43-1EF5DH3EFH5bendacortoneRefChem:905623(11beta)-11,17-Dihydroxy-21-((2-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)acetyl)oxy)pregn-4-ene-3,20-dione258-710-3[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(1-benzylindazol-3-yl)oxyacetatecortazacEINECS 258-710-3AF 2071AF-2071
Show more names
11β,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate11beta,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate11β,17-Dihydroxy-21-[[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyloxy]pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 11-beta,17-dihydroxy-21-((((1-phenylmethyl)-1H-indazol-3-yl)oxy)acetyloxy)-Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[[2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetyl]oxy]-, (11β)-
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- Melting point
- 175 °C · 175°C
- Boiling point
- 664.97 °C · 664.97°C (rough estimate)
- Density
- 1.1734 · 1.1734 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 12.302 · 12.302±0.70(predicted)
- color
- Needles from EtOH
- FDA UNII
- 5 DH3EFH5 · EF5DH3EFH5
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…