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Hydrocortamate Hydrochloride

CAT: 0931-T32113Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32113Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125-03-1
Target
Others
Related Pathways
Others
Bioactivity
Hydrocortamate Hydrochloride is a synthetic glucocorticoid that has anti-inflammatory and immunosuppressive properties. It is used topically to treat inflammation caused by corticosteroid-responsive skin diseases.
Smiles
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(COC(CN(CC)CC)=O)=O)O)[H].Cl
Molecular Formula
C27H42ClNO6
Molecular Weight
512.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydrocortamate Hydrochloride

See also: Hydrocortamate (has active moiety).

CAS Number125-03-1
PubChem CID31312
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(diethylamino)acetate;hydrochloride
Molecular FormulaC27H42ClNO6
Molecular Weight512.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity880
SMILES
CCN(CC)CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O.Cl
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
InChIKey
AKQNAIYKSALPKV-OYHXESGYSA-N
Chemical Structure
2D Structure
2D structure of Hydrocortamate Hydrochloride
CAS: 125-03-1
CID: 31312
Formula: C27H42ClNO6
MW: 512.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass511.2700658
Monoisotopic Mass511.2700658
Topological Polar Surface Area104 Ų
Heavy Atom Count35
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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