Basic information
- CAS
6677-96-9- 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)COS(C)(=O)=O- InChIKey
AFMXNPUMXZCVGU-CWNVBEKCSA-N- Molecular formula
- C22H32O7S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.18687453
Overview
alkylating derivative of cortisol
Names & identifiers
- Preferred name
- Cortisol 21-mesylate
- 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] methanesulfonate
- English name
- 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate
- Molecular formula
- C22H32O7S
- Molecular weight
- 440.55
Names & synonyms
Cortisol 21-mesylate6677-96-96WCD4PNT44Hydrocortisone 21-methanesulfonate4-pregnene-11beta, 17alpha, 21-triol-3,20-dione-21-methanesulfonatePregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((methylsulfonyl)oxy)-, (11beta)-RefChem:128089229-714-2[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] methanesulfonate(11beta)-11,17-Dihydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dioneC22H32O7SHydrocortisone 21-Mesylate; 11,17-Dihydroxy-21-[(methylsulfonyl)oxy]-pregn-4-ene-3,20-dione
Show more names
Hydrocortisone buteprate 42Hydrocortisone methanesulfonate11β,7α-dihydroxy-21-pregn-4-ene-3,20-dioneMethanesulfonic acid 11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl esterPregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(methylsulfonyl)oxy]-, (11β)-
EINECS 229-714-2Cortisol,21-methanesulfonateSCHEMBL332584DTXSID2098534011beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-methanesulfonate11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-methanesulphonateMFCD00272030AKOS030254827
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 903
Physicochemical properties
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesCortisol (H714615) derivative. A glucocorticoid that augments the accumulation of α-lactalbumin in midpregnant rat mammary tissue cultured in the presence of insulin and prolactin.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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