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Home> Hot Product Listed R   > Rifamycin VIII,1',4-didehydro-1-deoxy-5'-(dimethylamino)-1,4-dihydro-3'-hydroxy-1-oxo- (9CI)
1141776-83-1 structure

Rifamycin VIII,1',4-didehydro-1-deoxy-5'-(dimethylamino)-1,4-dihydro-3'-hydroxy-1-oxo- (9CI)

Iupac Name:3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CAS No.:1141776-83-1
Molecular Weight:263.381
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

2,7-(Epoxypentadeca[1,11,13]trienimino)-6H-benzofuro[4,5-a]phenoxazine,rifamycin VIII deriv.

Inchi
InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
InChkey
WJIGGYYSZBWCGC-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)COC2=CC=CC(=C2)C(CCN)O
Properties
Flash Point
°C
Computational chemical data
  • Molecular Weight:263.381g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:263.189
  • Monoisotopic Mass:263.189
  • Complexity:241
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.5A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHgAQCAAADRThmAYwBoBABgCA AiBCAAACCAAgIAAIiIAGCIgMNiKEsRqCeCCm0BEIuAfQwLAOAAABAAAAAAAAAAIAAAAAAAAAAAAA AA==
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