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Pregnenolone monosulfate sodium

CAT: 0013-GTR19203238-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203238-01Size:50 mg
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Description
Pregnenolone monosulfate sodium salt is the sodium salt of an endogenous neurosteroid. It modulates neuronal excitability by enhancing NMDA receptor and TRPM3 channel activity while potentially inhibiting GABA A receptors. This compound is used in vitro and in vivo to study neurosteroid signaling, synaptic plasticity, and calcium-dependent processes.
CAS Number
1852-38-6
Product Name Alternative
3β-Hydroxy-5-pregnen-20-one monosulfate sodium, 3β-Hydroxy-5-pregnen-20-one monosulfate sodium salt, 3b-Hydroxy-5-pregnen-20-one monosulfate sodium, 3beta-Hydroxy-5-pregnen-20-one monosulfate sodium, CB1, Human Endogenous Metabolite, Pregnenolone monosulfate sodium, Pregnenolone monosulfate sodium salt
Field of Research
Cell Biology, Epigenetics & Chromatin, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.76% (May vary between batches)
Solubility
H2O:2 mg/mL (4.78 mM) ; DMSO:80 mg/mL (191.15 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (7.88 mM)
Smiles
C[C@@]12[C@]3 ([H]) [C@] (CC=C1C[C@H] (CC2) OS (=O) ([O-]) =O) ([H]) [C@@]4 ([H]) [C@] (CC3) ([C@H] (CC4) C (C) =O) C.[Na+]
Molecular Formula
C21H31NaO5S
Molecular Weight
418.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pregnenolone Sulfate Sodium
CAS Number1852-38-6
PubChem CID23676306
IUPAC Namesodium [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
Molecular FormulaC21H31NaO5S
Molecular Weight418.5
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity772
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI
InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1
InChIKey
QQVJEIZJHDPTSH-UTNKIXDHSA-M
Chemical Structure
2D Structure
2D structure of Pregnenolone Sulfate Sodium
CAS: 1852-38-6
CID: 23676306
Formula: C21H31NaO5S
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass418.17898954
Monoisotopic Mass418.17898954
Topological Polar Surface Area91.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity772
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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