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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pen...
736978-05-5 structure

2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-,(4S,4aR,5S,5aR,12aS)-

Iupac Name:[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CAS No.:736978-05-5
Molecular Weight:412.486
Molecular Formula:C4H11NO (isomer)
Names and Identifiers
Synonyms

(2z,4s,4ar,5s,5ar,12as)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione (4s,4ar,5s,5ar,12as)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione 23Q8M2HE6S 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo- 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4s-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))- 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-(6CI,7CI,8CI) 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-,[4S-(4a,4aa,5a,5aa,12aa)]- 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacene carboxamide 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide 7-chloro-6-methylene-5-oxytetracycline 7-cloro-6-metilene-5-ossitetraciclina 7-cloro-6-metilene-5-ossitetraciclina [italian] AB00053598_03 AB00053598_04 AC1L27GB api0009106 c22h21cln2o8 CHEBI:135772 CHEMBL1237124 D02476 DB13092 DTXSID4048567 einecs 217-938-3 GGQJXCQBBONZFX-IWVLMIASSA-N gs 2989 gs-2989 LS-93859 meclociclina meclociclina [inn-spanish] meclociclina [italian] meclocycline meclocycline (usan/inn) meclocycline [usan:inn:ban] meclocyclinum meclocyclinum [inn-latin] meclosorb nsc 78502 samil SCHEMBL12841672 SCHEMBL1650332 SCHEMBL3445 unii-23q8m2he6s ZINC60298588 ZINC84402690

Inchi
InChI=1S/C23H28N2O5/c1-4-29-20-13-9-8-12-19(20)23(28)24-14-22(27)30-16-21(26)25(17(2)3)15-18-10-6-5-7-11-18/h5-13,17H,4,14-16H2,1-3H3,(H,24,28)
InChkey
TUWTWRCDLKNCDC-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C
Properties
Flash Point
164°C
Computational chemical data
  • Molecular Weight:412.486g/mol
  • Molecular Formula:C4H11NO
  • Compound Is Canonicalized:True
  • Exact Mass:412.2
  • Monoisotopic Mass:412.2
  • Complexity:560
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:84.9A^2
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • 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: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADCzhmAYyDoPABACI AiHSGAKCCAAkIAAIiIHODMgOJjaEtT+HOWjm5hGYqYeYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
 
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