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Basic information
- CAS
64-85-7- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO- InChIKey
ZESRJSPZRDMNHY-YFWFAHHUSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.468 g/mol
- Monoisotopic mass
- 330.21949482
Names & identifiers
- Preferred name
- 21-Hydroxyprogesterone
- IUPAC
- 21-Hydroxypregn-4-ene-3,20-dione
- English name
- Desoxycorticosterone
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
DOCDEOXYCORTICOSTERONEDESOXYCORTONE11-DEOXYCORTICOSTERONE21-HYDROXYPROGESTERONE11-DESOXYCORTICOSTERONE21-hydroxypregn-4-ene-3,20-dioneCORTEXONECorthormonDeoxycortone
Database identifiers
- CAS
64-85-7- PubChem CID
- 6166
- DTXSID
DTXSID0045254- ChEMBL
CHEMBL1498- ChEBI
CHEBI:16973- UNII
- 40GP35YQ49
- EC Number
- 200-596-4
- Nikkaji
- J1.407I
Properties
Physicochemical properties
- Melting point
- 138 · 138-144 °C
- alpha
- 184 · 184 º (c=1, C2H5OH)
- Boiling point
- 407.89 °C · 407.89°C (rough estimate)
- Density
- 1.0998 · 1.0998 (rough estimate)
- refractive index
- 1.5192 · 1.5192 (estimate)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.98 · 12.98±0.10(Predicted)
- color
- White to Pale Yellow
- optical activity
- 17822 · +17822 (c 1.5, ethanol)
- Water Solubility
- slightly soluble
- Merck
- 13 · 13,2917
- BRN
- 2062123 · 2062123
- InChI
- 1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
- InChIKey
- ZESRJSPZRDMNHY-YFWFAHHUSA-N
- SMILES
- [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])C(=O)CO
- LogP
- 2.88 · 2.880
- CAS DataBase Reference
- 64 · 64-85-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 40 GP35YQ49 · 40GP35YQ49
- ATC code
- 2 AA03 · H02AA03
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- HG0350000
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 40-48-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,T,F
- safety_code
- 22-24/25-45-36/37-16-7
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H351-H373
- Hazard Classifications
- Carc. 2STOT RE 2
- Precautionary statements
- P201-P308+P313
Chemistry & industry
Applications
UsesA mineralocorticoid that occurs in adrenal cortex. It acts as a precursor to Aldosterone (A514700).
UsesAntiinflammatory;Corticoide
General Description11-Deoxycorticosterone is a steroid hormone produced in the adrenal glands that acts as a precursor for the hormone aldosterone. Levels of 11-deoxycorticosterone are measured by LC-MS/MS to aid in diagnosing disorders of steroid synthesis, such as 11-hydroxylase deficiency and glucocorticoid responsive hyperaldosteronism. This Certified Spiking Solution is suitable for use as starting material inlinearity standards, calibrators, and controls for numerous LC-MS/MS applications in endocrinology, clinical chemistry, and neonatal screening.
Upstream & downstream products
Downstream products
Suppliers68 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Related reactions
6 records
Compound notes
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