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Tropine

CAT: 0572-TRC-T892665-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T892665-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-29-6
Synonyms
Tropisetron Hydrochloride Imp. A (EP); Tropisetron Imp. A (EP); (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ol; Tropine; Tropisetron Hydrochloride Impurity A; Tropisetron Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN1[C@@H]2CC[C@H]1C[C@@H](O)C2
Molecular Formula
C8 H15 N O
Molecular Weight
141.21
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+
Additionnal Information
IUPAC name: (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

8-Methyl-8-azabicyclo(3.2.1)octan-3-ol

tropin has been reported in Atropa bella-donna and Datura stramonium with data available.

CAS Number120-29-6
PubChem CID8424
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Molecular FormulaC8H15NO
Molecular Weight141.21
XLogP0.8
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
CN1C2CCC1CC(C2)O
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChIKey
CYHOMWAPJJPNMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CAS: 120-29-6
CID: 8424
Formula: C8H15NO
MW: 141.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.21
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass141.115364102
Monoisotopic Mass141.115364102
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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