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


Chemical Name: 2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, (4S,4aS,5aR,12aS)-
CAS Number: 13614-98-7
Product Number: AG00397Y(AGN-PC-0PKTPM)
Synonyms:
MDL No:
Molecular Formula: C23H28ClN3O7
Molecular Weight: 493.9373

Identification/Properties


Computed Properties
Molecular Weight:
493.941g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
3
Exact Mass:
493.162g/mol
Monoisotopic Mass:
493.162g/mol
Topological Polar Surface Area:
165A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
971
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335-H350-H360
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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