Pregnenolone sulfate sodium salt

CAS

1852-38-6

Catalog Number

ACM1852386

Category

Steroidal Compounds

Molecular Weight

418.52

Molecular Formula

C₂₁H₃₁NaO₅S

MSDS COA Spec Sheet

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Specification

Synonyms

PREGNENOLONE SULFATE SODIUM;PREGNENOLONE SULFATE SODIUM SALT;PREGNENOLONE SULPHATE, SODIUM SALT;3B-HYDROXY-5-PREGNEN-20-ONE 3-SULFATE SODIUM SALT;3-BETA-HYDROXY-5-PREGNEN-20-ONE 3-SULPHATE, SODIUM SALT;3-HYDROXYPREGN-5-EN-20-ONE SULFATE SODIUM SALT;5-PRE

IUPAC Name

sodium;[(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

Canonical SMILES

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+]

InChI Key

QQVJEIZJHDPTSH-UTNKIXDHSA-M

Melting Point

192ºC(lit.)

Exact Mass

418.17900

WGK Germany

What is the molecular formula of Pregnenolone sulfate sodium salt?

The molecular formula of Pregnenolone sulfate sodium salt is C21H31NaO5S.

What is the molecular weight of Pregnenolone sulfate sodium salt?

The molecular weight of Pregnenolone sulfate sodium salt is 418.5 g/mol.

What is the IUPAC name of Pregnenolone sulfate sodium salt?

The IUPAC name of Pregnenolone sulfate sodium salt is sodium;[(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.

What are the synonyms of Pregnenolone sulfate sodium salt?

The synonyms of Pregnenolone sulfate sodium salt are Pregnenolone sulfate sodium salt, Pregnenolone monosulfate (sodium salt), Pregnenolone monosulfate sodium salt, SCHEMBL1321009.

What is the CAS number of Pregnenolone sulfate sodium salt?

The CAS number of Pregnenolone sulfate sodium salt is 1852-38-6.

What is the ChEMBL ID of Pregnenolone sulfate sodium salt?

The ChEMBL ID of Pregnenolone sulfate sodium salt is CHEMBL1256742.

What is the hydrogen bond donor count of Pregnenolone sulfate sodium salt?

The hydrogen bond donor count of Pregnenolone sulfate sodium salt is 0.

What is the hydrogen bond acceptor count of Pregnenolone sulfate sodium salt?

The hydrogen bond acceptor count of Pregnenolone sulfate sodium salt is 5.

How many rotatable bonds does Pregnenolone sulfate sodium salt have?

Pregnenolone sulfate sodium salt has 3 rotatable bonds.

What is the topological polar surface area of Pregnenolone sulfate sodium salt?

The topological polar surface area of Pregnenolone sulfate sodium salt is 91.9Å².