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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-9-[[2-(dimethylamino)acetyl]amino]-1,4,4a,5,5a,6,11,...
1185241-63-7 structure

2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-9-[[2-(dimethylamino)acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,(4S,4aS,5aR,12aS)-

Iupac Name:3-[(E)-3,3,4,4,4-pentadeuterio-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CAS No.:1185241-63-7
Molecular Weight:378.527
Molecular Formula:C19H21NO5S (isomer)
Names and Identifiers
Synonyms

2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-9-[[(dimethylamino)acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,(4S,4aS,5aR,12aS)- (9CI) 2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-9-[[(dimethylamino)acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,[4S-(4a,4aa,5aa,12aa)]- 9-(N,N-dimethylglycylamido)minocycline DMG-MINO

Inchi
InChI=1S/C25H27NO2/c1-3-24(19-8-5-4-6-9-19)25(21-10-7-11-22(27)18-21)20-12-14-23(15-13-20)28-17-16-26-2/h4-15,18,26-27H,3,16-17H2,1-2H3/b25-24+/i1D3,3D2
InChkey
QPHNKIXIKDPNDI-JFIRTRMYSA-N
Canonical Smiles
CCC(=C(C1=CC=C(C=C1)OCCNC)C2=CC(=CC=C2)O)C3=CC=CC=C3
Properties
Density
1.498
Melting Point
66-72C
Boiling Point
330.7°C at 760 mmHg
Flash Point
169.1°C
Computational chemical data
  • Molecular Weight:378.527g/mol
  • Molecular Formula:C19H21NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:378.236
  • Monoisotopic Mass:378.236
  • Complexity:475
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.5A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:5
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAQCAAADAThmAYyBoLABgCA AiBCAAACCAAgIAAIiIAOCIgOJiKGMRqDeCCk0BEYuAeAwPAOIAABAAAAAABAAAIAAAAAAAAAAAAA AA==
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