Basic information
- CAS
5251-34-3- Standard SMILES
C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
YTJIBEDMAQUYSZ-FDNPDPBUSA-N- Molecular formula
- C21H25ClO5
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1390516
Overview
Cloprednol is a 21-hydroxy steroid.
Names & identifiers
- Preferred name
- Cloprednol
- IUPAC
- (8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
- English name
- cloprednol
- Molecular formula
- C21H25ClO5
- Molecular weight
- 392.876
Names & synonyms
CLOPREDNOL5251-34-3CloradrynCloprednolumRS-4691SYP56O3GJGDTXSID1022849cloprednoloRefChem:577743DTXCID602849H02AB146-chloro-11 beta, 17 alpha, 21-trihydroxypregn-1,4,6-triene-3,20-dione
Show more names
SynestanCloprednolecloprednol USP/EP/BPBenzoyl Peroxide Impurity 11Methylprednisolone Impurity 33 (Cloprednol)
(1S,2R,10S,11S,14R,15S,17S)-8-chloro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6,8-trien-5-one226-052-6NovacortSyntestan6-Chloro-11beta,17,21-trihydroxypregna-1,4,6-triene-3,20-dione(8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one(8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-oneUNII-SYP56O3GJG
Database identifiers
- CAS
5251-34-3- PubChem CID
- 5284535
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 813
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 125 °C · >125°C (dec.)
- Boiling point
- 600.3 · 600.3±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 12.3 · 12.30±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 56 O3GJG · SYP56O3GJG
- ATC code
- 2 AB14 · H02AB14
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 373 · H373
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H373
- Precautionary statements
- P260-P314-P501
Chemistry & industry
Pharmacology
ATC Code
H - Systemic hormonal preparations, excl. sex hormones and insulins
QH - Systemic hormonal preparations, excl. sex hormones and insulin
Mechanism of ActionCloprednol is a synthetic glucocorticoid. Glucocorticoids act by binding the glucocorticoid receptor, which alters transcription of inflammatory and immune genes.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Applications
UsesA systematic corticosteroid. Anti-inflammatory.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州东帆化学有限公司86-0571-85151182
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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