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Risedronic Acid N-Oxide

CAT: 0572-TRC-R521510-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R521510-250MGSize:250 mg
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CAS Number
1630901-84-6
Hazard Statement
No Data Available
Smiles
OC(Cc1cccn(=O)c1)(P(=O)(O)O)P(=O)(O)O
Molecular Formula
C7 H11 N O8 P2
Molecular Weight
299.112
InChI
InChI=1S/C7H11NO8P2/c9-7(17(11,12)13,18(14,15)16)4-6-2-1-3-8(10)5-6/h1-3,5,9H,4H2,(H2,11,12,13)(H2,14,15,16)
Additionnal Information
IUPAC name: [1-hydroxy-2-(1-oxopyridin-3-yl)-1-phosphonoethyl]phosphonic acid
Shipping Conditions
Room Temperature

Chemical Information

Risedronic Acid N-Oxide
CAS Number1630901-84-6
PubChem CID169446178
IUPAC Name[1-hydroxy-2-(1-oxidopyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid
Molecular FormulaC7H11NO8P2
Molecular Weight299.11
XLogP-4.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity367
SMILES
C1=CC(=C[N+](=C1)[O-])CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H11NO8P2/c9-7(17(11,12)13,18(14,15)16)4-6-2-1-3-8(10)5-6/h1-3,5,9H,4H2,(H2,11,12,13)(H2,14,15,16)
InChIKey
HYEZNYFSEDLYRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Risedronic Acid N-Oxide
CAS: 1630901-84-6
CID: 169446178
Formula: C7H11NO8P2
MW: 299.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.11
XLogP3-4.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass298.99599030
Monoisotopic Mass298.99599030
Topological Polar Surface Area161 Ų
Heavy Atom Count18
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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TRC-R521507-25MGRisedronic Acid-d4, 13C
TRC-R521500-250MGRisedronic Acid Sodium Salt
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Alternative Products

CatalogName
464729-01Risedronic Acid N-Oxide
GTR19177127-01Risedronic Acid
HY-B0148R-01Risedronic acid (Standard)
HY-B0119-01Risedronic acid (sodium)
MBS385679-01Risedronic acid (Actonel)
HY-B0148SRisedronic acid-d4
RM-R091907-01Risedronate (Risedronic Acid)
FH61572-01Risedronic acid monohydrate
sc-499517Deoxy risedronic acid
464730-01Risedronic Acid-d4, 13C

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