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Home Aminos Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-,4-[2-(acetylamino)benzoate], monohydrobromide, (1a,14a,16b)-

Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-,4-[2-(acetylamino)benzoate], monohydrobromide, (1a,14a,16b)-

CAS No.:
97792-45-5
Catalog Number:
AG00IJZG
Molecular Formula:
C32H45BrN2O8
Molecular Weight:
665.6123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
95%
In Stock USA
United States
$257
- +
1g
95%
In Stock USA
United States
$839
- +
Product Description
Catalog Number:
AG00IJZG
Chemical Name:
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-,4-[2-(acetylamino)benzoate], monohydrobromide, (1a,14a,16b)-
CAS Number:
97792-45-5
Molecular Formula:
C32H45BrN2O8
Molecular Weight:
665.6123
MDL Number:
MFCD00171334
IUPAC Name:
[(1S,2S,3S,4S,5R,6S,8S,9S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide
InChI:
InChI=1S/C32H44N2O8.BrH/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5;/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35);1H/t19-,20+,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+;/m1./s1
InChI Key:
CFFYROOPXPKMEQ-OPLXFBIMSA-N
SMILES:
CCN1C[C@@]2(CC[C@H]([C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@H]4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1NC(=O)C.Br
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
664.236g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
665.622g/mol
Monoisotopic Mass:
664.236g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
[The role of reflexotherapy and physical training in the combined treatment and the prevention of paroxysmal form of idiopathic atrial fibrillation]. Voprosy kurortologii, fizioterapii, i lechebnoi fizicheskoi kultury 20080101
Effect of glialin on cardiac ventricular arrhythmias and myocardial conduction system in dogs. Bulletin of experimental biology and medicine 20070301
[Some aspects of the antiarrhythmic effect of glialin]. Eksperimental'naia i klinicheskaia farmakologiia 20060101
[Antiarrhythmic activity of alaglyzin]. Eksperimental'naia i klinicheskaia farmakologiia 20050101
[Assessment of anti-arrhythmic efficacy of a domestic drug allapinin in patients with ischemic heart disease and cardiac arrhythmia]. Klinicheskaia meditsina 20030101
[Efficiency of antiarrhythmic drugs of class 1C and isoptin in paroxysmal supraventricular tachycardia]. Klinicheskaia meditsina 20020101
[Antiarrhythmic drug allapinin: review of results of clinical investigation]. Kardiologiia 20020101
Properties