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101342-45-4

101342-45-4 | 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-

CAS No: 101342-45-4 Catalog No: AG0004A5 MDL No:MFCD09842537

Product Description

Catalog Number:
AG0004A5
Chemical Name:
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4R,4aS,5aS,6S,12aS)-
CAS Number:
101342-45-4
Molecular Formula:
C22H24Cl2N2O8
Molecular Weight:
515.3406
MDL Number:
MFCD09842537
IUPAC Name:
(4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI:
InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1
InChI Key:
QYAPHLRPFNSDNH-QNUQNERCSA-N
SMILES:
CN([C@H]1C(=O)/C(=C(/O)\N)/C(=O)C2(C1CC1C(=C(O)c3c([C@@]1(C)O)c(Cl)ccc3O)C2=O)O)C.Cl

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
514.091g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
515.34g/mol
Monoisotopic Mass:
514.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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