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Estropipate

CAT: 1410-M15786-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M15786-07Size:500 mg
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Description
Estropipate is a form of estrogen.
CAS Number
7280-37-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
436.56
Molecular Formula
C22H32N2O5S
Notes
Research use only, not for human use.
Receptor
ER

Chemical Information

Ogen

Estropipate can cause cancer and developmental toxicity according to state or federal government labeling requirements.

CAS Number7280-37-7
PubChem CID5284555
IUPAC Name[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine
Molecular FormulaC22H32N2O5S
Molecular Weight436.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity650
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
InChI
InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1
InChIKey
HZEQBCVBILBTEP-ZFINNJDLSA-N
Chemical Structure
2D Structure
2D structure of Ogen
CAS: 7280-37-7
CID: 5284555
Formula: C22H32N2O5S
MW: 436.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass436.20319330
Monoisotopic Mass436.20319330
Topological Polar Surface Area113 Ų
Heavy Atom Count30
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3605784-01Estropipate
A17579-10Estropipate 10mg
HY-B1361R-01Estropipate (Standard)
A17579-500Estropipate 500mg

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