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Basic information
- CAS
547-77-3- Standard SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
SYGWGHVTLUBCEM-TUJFWAKLSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.482 g/mol
- Monoisotopic mass
- 364.22497412
Names & identifiers
- Preferred name
- Allotetrahydrocortisone
- IUPAC
- 3alpha,17,21-Trihydroxy-5alpha-pregnane-11,20-dione
- English name
- 5-alpha-Pregnan-3-beta, 17,21-triol-11,20-dione
- Molecular formula
- C21H32O5
- Molecular weight
- 364.48
Names & synonyms
ALLO THEAllo Th ‘E’KENDALL'S COMPOUND 'G'ALLOTETRAHYDROCORTISONEREICHSTEIN'S SUBSTANCE 'D'Allotetrahydro Compound ‘E’WINTERSTEINER'S COMPOUND 'B'5α-Pregnane-3α,17α,21-triol-11,20-dione5A-pregnane-3A,17A,21-triol-11,20-*dione5α-PREGNAN-3α, 17, 21-TRIOL-11, 20-DIONE
Database identifiers
- CAS
547-77-3- PubChem CID
- 101762
- DTXSID
DTXSID30878592- UNII
- 76SK258VML
- EC Number
- 208-936-3
- Nikkaji
- J39.554D
Properties
Physicochemical properties
- Melting point
- 212 · 212-214°
- Boiling point
- 544.5 · 544.5±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 12.38 · 12.38±0.70(Predicted)
- FDA UNII
- 76 SK258VML · 76SK258VML
Chemistry & industry
Applications
UsesAllotetrahydrocortisone is a metabolite of Cortisone (C696500), a glucocorticoid, anti-inflammatory agent.
Suppliers5 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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