Hydrocortamate hydrochlorideProduct ingredient for Hydrocortamate

Show full entry for Hydrocortamate
Name
Hydrocortamate hydrochloride
Drug Entry
Hydrocortamate

Hydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects.

See full entry for Hydrocortamate
Accession Number
DBSALT000686
Structure
Similar Structures
Synonyms
Hydrocortamate HCl
UNII
9QM8U7R83W
CAS Number
125-03-1
Weight
Average: 512.078
Monoisotopic: 511.270065788
Chemical Formula
C27H42ClNO6
InChI Key
AKQNAIYKSALPKV-OYHXESGYSA-N
InChI
InChI=1S/C27H41NO6.ClH/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4;/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3;1H/t19-,20-,21-,24+,25-,26-,27-;/m0./s1
IUPAC Name
2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2-(diethylamino)acetate hydrochloride
SMILES
Cl.[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
PubChem Compound
31312
ChemSpider
29051
ChEBI
50854
ChEMBL
CHEMBL1200635
Wikipedia
Hydrocortamate
Predicted Properties
PropertyValueSource
Water Solubility0.0855 mg/mLALOGPS
logP2.82ALOGPS
logP2.32Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.61Chemaxon
pKa (Strongest Basic)6.99Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area104.14 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity129.48 m3·mol-1Chemaxon
Polarizability52.97 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon