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Estropipate

CAT: 0127-OR1026385-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1026385-04Size:5 g
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CAS Number
7280-37-7
Synonyms
[ (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
Purity
98%
Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1

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
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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
A17579-200Estropipate 200mg

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