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82977-51-3 | (S)-(-)-3-Chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride
CAS No: 82977-51-3 Catalog No: AG0053TG MDL No:
Product Description
Catalog Number:
AG0053TG
Chemical Name:
(S)-(-)-3-Chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride
CAS Number:
82977-51-3
Molecular Formula:
C16H24Cl2N2O3
Molecular Weight:
363.2794
IUPAC Name:
3-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide;chloride
InChI:
InChI=1S/C16H23ClN2O3.ClH/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H/t11-;/m0./s1
InChI Key:
PKSWACCSAIQAEJ-MERQFXBCSA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(c1OC)Cl.Cl
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
362.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.279g/mol
Monoisotopic Mass:
362.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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