Dexchlorpheniramine n-Oxide Dihydrochloride
Catalog: |
BB068411 |
Product Name: |
Dexchlorpheniramine n-Oxide Dihydrochloride |
Synonyms: |
(S)-γ-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine N-Oxide (9CI) |
IUPAC Name: | (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxidedihydrochloride |
Description: | Dexchlorpheniramine n-Oxide Dihydrochloride is the salt of Dexchlorpheniramine n-Oxide, which is a useful intermediate and is used in the preparation of chlorpheniramine metabolite. |
Molecular Weight: | 290.79 + 2(36.46) |
Molecular Formula: | C16H19ClN2O·2(HCl) |
Canonical SMILES: | C[N+](C)(CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-].Cl.Cl |
InChI: | InChI=1S/C16H19ClN2O.2ClH/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H32*1H/t15-/m0../s1 |
InChI Key: | OHKSBZICVDICGZ-CKUXDGONSA-N |
References: | Cashman, J.R.; et al. Xenobiotica, 22, 459 (1992). |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.071946 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.071946 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 31Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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