endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane Dihydrochloride - CAS 135906-03-5
Catalog: |
BB008256 |
Product Name: |
endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane Dihydrochloride |
CAS: |
135906-03-5 |
Synonyms: |
(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride; (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride |
IUPAC Name: | (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride |
Description: | endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane Dihydrochloride (CAS# 135906-03-5) is an impurity in the synthesis of Granisetron HCl (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic. |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H20Cl2N2 |
Canonical SMILES: | CN1C2CCCC1CC(C2)N.Cl.Cl |
InChI: | InChI=1S/C9H18N2.2ClH/c1-11-8-3-2-4-9(11)6-7(10)5-8;;/h7-9H,2-6,10H2,1H3;2*1H/t7?,8-,9+;; |
InChI Key: | ZYQLBGNYBPWAFH-XFRIOYGNSA-N |
Boiling Point: | 294.6 °C at 760 mmHg |
Appearance: | Off-white powder |
LogP: | 3.20260 |
Publication Number | Title | Priority Date |
AU-2009260469-A1 | 5-HT3 receptor modulators, methods of making, and use thereof | 20080529 |
AU-2009260469-B2 | 5-HT3 receptor modulators, methods of making, and use thereof | 20080529 |
KR-101653707-B1 | 5-ht3 receptor modulators, methods of making, and use thereof | 20080529 |
KR-20110021837-A | 5-HT3 receptor modulators, methods for their preparation, and uses thereof | 20080529 |
MX-2010012807-A | MODULATORS OF RCEPTOR 5-HYDROXITRIPTAMINE 3, METHODS OF MANUFACTURE AND USE OF THE SAME. | 20080529 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.100354 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.100354 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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