Skip Navigation Links
ScientificNameLabel
Pipazetate-M(alcohol)
PHCD compound ID : 3797
Chemical Names :
Pipazetate-M(alcohol)
Molecular Formula : C21H25N3O3S1
Molecular Weight : 399.161663
More Details :
Names & Synonyms: 2-[2-(1-piperidyl)ethoxy]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate , 10-pyrido[3,2-b][1,4]benzothiazinecarboxylic acid 2-[2-(1-piperidinyl)ethoxy]ethyl ester , 2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate , pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid 2-(2-piperidinoethoxy)ethyl ester
Smiles: O=C(N1c2ccccc2Sc2c1nccc2)OCCOCCN1CCCCC1
InChi : InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
InChi Key : InChIKey=DTVJXCOMJLLMAK-UHFFFAOYSA-N
PubChem ID : 22425
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.000708
Hydrogen bond donor count : 0 Electric dipole moment : 1.996
XLogP : 1.304 VDW volume : 359.961075
Molecular weight : 399.161663 HOMO-LUMO gap : 7.389000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us