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  2. Benzoic acid, 2-hydroxy-5-sulfo-, compd. with(4S,4aR,5S,5aR,12aS)-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 (1:1)OTHER CA INDEX NAMES:2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahyd

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 2-hydroxy-5-sulfo-, compd. with(4S,4aR,5S,5aR,12aS)-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 (1:1)OTHER CA INDEX NAMES:2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahyd

O[C@H]1[C@H]2C(=C(O)c3c(C2=C)c(Cl)ccc3O)C(=O)[C@]2([C@@H]1[C@H](N(C)C)C(=O)/C(=C(/O)\N)/C2=O)O.OC(=O)c1cc(ccc1O)S(=O)(=O)O Request for Quotation
Chemical Name: Benzoic acid, 2-hydroxy-5-sulfo-, compd. with(4S,4aR,5S,5aR,12aS)-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 (1:1)OTHER CA INDEX NAMES:2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahyd
CAS Number: 73816-42-9
Product Number: AG008Q0H(AGN-PC-0U3Z93)
Synonyms:
MDL No:
Molecular Formula: C29H27ClN2O14S
Molecular Weight: 695.0477

Identification/Properties

Computed Properties
Molecular Weight:
695.045g/mol
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
4
Exact Mass:
694.087g/mol
Monoisotopic Mass:
694.087g/mol
Topological Polar Surface Area:
302A^2
Heavy Atom Count:
47
Formal Charge:
0
Complexity:
1350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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

NMR Spectrum

Other Analytical Data

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