Pregnenolone sulfate

Base Information

• Chemical Name: Pregnenolone sulfate
• CAS No.: 1247-64-9
• Molecular Formula: C21H32 O5 S
• Molecular Weight: 396.548
• UNII: 04Y4D91RG0
• DSSTox Substance ID: DTXSID60924910
• Nikkaji Number: J468.821J
• Wikipedia: Pregnenolone_sulfate
• Wikidata: Q7239912
• Pharos Ligand ID: 2PMK1RXA24MM
• Metabolomics Workbench ID: 36956
• ChEMBL ID: CHEMBL1179605
• Mol file: 1247-64-9.mol

Synonyms:5-pregnen-3 beta-ol-20-one sulfate;pregnenolone sulfate;pregnenolone sulfate, (3alpha)-isomer;pregnenolone sulfate, sodium salt, (3beta)-isomer

Chemical Property of Pregnenolone sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 89.05000
• Density: 1.25g/cm³
• LogP: 5.42320
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 396.19704529
• Heavy Atom Count: 27
• Complexity: 766

Purity/Quality:

97% ^*data from raw suppliers

Pregnenolonemonosulfate >98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
• Isomeric 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
• Description: Pregnenolone sulfate is a neuroactive metabolite of pregnenolone. It has significant regulatory effects on the release of many important neurotransmitters such as glutamate, GABA, acetylcholine, norepinephrine, and dopamine.
• Biological functions: Pregnenolone sulfate has multiple important effects on brain functions, such as cognitive enhancing, promnesic, antistress, and antidepressant effects.Pregnenolone sulfate also has significant regulatory effects on the release of many important neurotransmitters such as glutamate, GABA, acetylcholine, norepinephrine, and dopamine.

Technology Process of Pregnenolone sulfate

There total 3 articles about Pregnenolone sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Pregnenolone (145-13-1) → pregnenolone sulfate (1247-64-9)

Guidance literature:

With pyridine; aminosulfonic acid;

DOI:10.1016/0039-128X(66)90145-0

Reference yield:

→ Pregnenolon-3β-sulfonsaeureester (1247-64-9,51922-44-2,87761-10-2)

Guidance literature:

Pregnenolon, SO3/Py.;

Reference yield:

→ Pregnenolon-sulfat (1247-64-9,51922-44-2,87761-10-2)

Guidance literature:

Pregnenolon, H2SO4 in Ggw. von Enzympraeparaten aus Rattenleber;

upstream raw materials:

Pregnenolone