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Dehydroepiandrosterone sulfate

CAT: 1266-JH417504Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
651-48-9
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C19H28O5S
Molecular Weight
368.49
Product Name Synonym
DHEA-sulphate
Physical Properties
Crystalline Solid
Safety Statements
S26; S36/37/39
Density
1.253g/cm3
Flash Point
297.6oC
Melting Point
214-216oC

Chemical Information

Dehydroepiandrosterone Sulfate

Dehydroepiandrosterone sulfate is a steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone. It has a role as a mouse metabolite, an EC 2.7.1.33 (pantothenate kinase) inhibitor and a human metabolite. It is a steroid sulfate and a 17-oxo steroid. It is functionally related to a dehydroepiandrosterone. It is a conjugate acid of a dehydroepiandrosterone sulfate(1-).

CAS Number651-48-9
PubChem CID12594
IUPAC Name[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular FormulaC19H28O5S
Molecular Weight368.5
XLogP2.8
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity721
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C
InChI
InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
CZWCKYRVOZZJNM-USOAJAOKSA-N
Chemical Structure
2D Structure
2D structure of Dehydroepiandrosterone Sulfate
CAS: 651-48-9
CID: 12594
Formula: C19H28O5S
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.16574516
Monoisotopic Mass368.16574516
Topological Polar Surface Area89.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3616419-01Dehydroepiandrosterone sulfate
abx181352-01Sodium dehydroepiandrosterone sulfate
GWB-833956Dehydroepiandrosterone (DHEA) Sulfate
HY-B0765-01Dehydroepiandrosterone sulfate (sodium)
HY-113416R-01Dehydroepiandrosterone sulfate (Standard)
505483-01DHEA Sulfate, Dihydrate (Dehydroepiandrosterone Sulfate)
MBS618330-01DHEA 3 Sulfate (Dehydroepiandrosterone Sulfate)
MBS638997-01DHEA Sulfate, ~99% (Dehydroepiandrosterone Sulfate)
D3225-25B-01DHEA 3 Sulfate (Dehydroepiandrosterone Sulfate, DHEAS)
GWB-46B3CFDehydroepiandrosterone-Sulfate ELISA Kit

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