Sodium prasterone sulfate

C19H27NaO5SCAS 1099-87-2390.47 g/mol

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OSO−OOONa+
AlkeneKetone

Properties

Molecular formula
C19H27NaO5S
Molar mass
390.47 g/mol
Exact mass
390.1477 Da
Melting point
154 °C (decomposes)
logP
3.33Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
S, S, R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1099-87-2
SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS([O-])(=O)=O)CC[C@]34C)[C@@H]1CCC2=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

13 names · show all
  • Androst-5-en-17-one, 3-(sulfooxy)-, sodium salt (1:1), (3β)-
  • Androst-5-en-17-one, 3β-hydroxy-, hydrogen sulfate, sodium salt
  • Androst-5-en-17-one, 3-(sulfooxy)-, sodium salt, (3β)-
  • Dehydroepiandrosterone sulfate sodium salt
  • Dehydroisoandrosterone sulfate sodium salt
  • Sodium dehydroepiandrosterone-3-sulfate
  • Sodium dehydroepiandrosterone sulfate
  • Mylis
  • Teloin
  • Prasterone sodium sulfate
  • DHA-S
  • NSC 72822
  • DHEA sulfate sodium salt

Work with Sodium prasterone sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3β-Acetoxyandrost-5-en-17-one853-23-666 % similar Cholesteryl sodium sulfate2864-50-863 % similar Dehydroepiandrosterone53-43-058 % similar Cholesteryl sulfate potassium salt6614-96-656 % similar (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-947 % similar 16-Dehydropregnenolone acetate979-02-246 % similar Conjugated estrogens12126-59-946 % similar 7-Oxodehydroepiandrosterone 3-acetate1449-61-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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