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Home> Encyclopedia > Hot Product Listed 5   > 5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)
38976-17-9 structure

5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)

Iupac Name:[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] dihydrogen phosphate
CAS No.:38976-17-9
Molecular Weight:510.696
Molecular Formula:C20H17CLN4O5S (isomer)
Names and Identifiers
Synonyms

11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine hydrochloride 2-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]-2-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,9,12,14-heptaene hydrochloride 5-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]-5h-dibenzo[b,f]azepine hydrochloride(1:1) 5h-dibenz(b,f)azepine, 5-(3-(4-methoxy-4-phenylpiperidino)propyl)-, hydrochloride, hydrate (2:2:1) 5H-Dibenz[b,f]azepine, 5-[3-(4-methoxy-4-phenylpiperidino)propyl]-,monohydrochloride (8CI) 5H-Dibenz[b,f]azepine,5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, monohydrochloride (9CI) AC1L4UZI AC1Q3DPI CTK4F7881 DTXSID40181024 LS-60493

Inchi
InChI=1S/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)/t21-,22-,29-/m1/s1
InChkey
JUIUXBHZFNHITF-IEOSBIPESA-N
Canonical Smiles
CC1=C2C(=C(C(=C1C)OP(=O)(O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
Properties
Density
1.242
Boiling Point
201.6°C at 760 mmHg
Computational chemical data
  • Molecular Weight:510.696g/mol
  • Molecular Formula:C20H17CLN4O5S
  • Compound Is Canonicalized:True
  • Exact Mass:510.347
  • Monoisotopic Mass:510.347
  • Complexity:664
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76A^2
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAIAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAGgAACCAADUSAmAACBoAABRCA QgBAAIACCAAgIAAAiAAECIgMJiKEMBqCOCCkwBEIqAfAwPAOwQADAAAYAACCAAYAADAAAAAAAAAA AA==
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