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Tandospirone impurity 3

CAT: 0804-HY-W096183-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W096183-01Size:100 mg
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Description
Tandospirone impurity 3 is an impurity of Tandospirone.
CAS Number
14166-28-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
O=C(O1)[C@]2([H])[C@@](C1=O)([H])[C@@H]3C[C@H]2CC3
Molecular Formula
C9H10O3
Molecular Weight
166.17
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2,3-Norbornanedicarboxylic acid anhydride, exo-
CAS Number14166-28-0
PubChem CID10535053
IUPAC Name(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.3
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity245
SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)OC3=O
InChI
InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h4-7H,1-3H2/t4-,5+,6+,7-
InChIKey
LQOPXMZSGSTGMF-RNGGSSJXSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Norbornanedicarboxylic acid anhydride, exo-
CAS: 14166-28-0
CID: 10535053
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count4
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
RM-T011402-01Tandospirone Impurity 2
RM-T011418-01Tandospirone Impurity 18
RM-T011414-01Tandospirone Impurity 14
RM-T011409-01Tandospirone Impurity 9
RM-T011410-01Tandospirone Impurity 10
RM-T011406-01Tandospirone Impurity 6
RM-T011416-01Tandospirone Impurity 16
RM-T011419-01Tandospirone Impurity 19
RM-T011408-01Tandospirone Impurity 8
RM-T011401-01Tandospirone Impurity 1

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