Basic information
- CAS
53-05-4- 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-ZIZPXRJBSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22497412
Overview
Urocortisone is a 21-hydroxy steroid.
Names & identifiers
- Preferred name
- Tetrahydrocortisone
- IUPAC
- (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
- English name
- 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione
- Molecular formula
- C21H32O5
- Molecular weight
- 364.48
Names & synonyms
TETRAHYDROCORTISONEUrocortisone53-05-45HF9TM2D15NSC-76984(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-oneDTXSID708785913alpha,17alpha,21-trihydroxy-5beta-pregnane-11,20-dionePregnane-11,20-dione, 3,17,21-trihydroxy-, (3alpha,5beta)-(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta(a)phenanthren-11-oneRefChem:188656DTXCID101016635
Show more names
Tetrahydrocortisone,GprTetrahydro Compound ‘E’Valproic Acid Impurity 603β,5β-Tetrahydro CortisoneTetrahydrocortisone (Solution)5β-Pregnane-3α,17α,21-Triol-11,20-Dione5-Pregnan-3a,17a,21-triol-11,20-dione-d55β-PREGNAN-3α, 17, 21-TRIOL-11, 20-DIONETetrahydrocortisone-2,2,3,4,4-d5 solution
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 190 ° · 190°
- alpha
- 25 · D25 +85.5° (abs ethanol)
- Boiling point
- 415.66 °C · 415.66°C (rough estimate)
- Density
- 1.0666 · 1.0666 (rough estimate)
- refractive index
- 1.612 · 1.6120 (estimate)
- storage temp.
- Refrigerator
- solubility
- Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.38 · 12.38±0.70(Predicted)
- color
- White to Off-White
- FDA UNII
- 5 HF9TM2D15 · 5HF9TM2D15
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationTetrahydrocortisone: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesA normal mammalian metabolite of Cortisone (C696500).
UsesCortisone (C696500) derivative.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
銳迪國際科技有限公司18024082417 · [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]
Clearsynth Labs Limited
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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