vindesine sulfate structure

vindesine sulfate

methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid

CAS: 59917-39-4
Molecular Formula C43H57N5O11S
Molecular Weight 852.0 g/mol
Topological Polar Surface Area 248.0 A2
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
Rotatable Bonds 7
Exact Mass 851.3775
Heavy Atoms 60
Complexity 1650.0

Chemical Identifiers

CAS Number 59917-39-4
SMILES CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O
InChIKey COFJBSXICYYSKG-FJFFLIEUSA-N

📖 Product Overview

vindesine sulfate (CAS: 59917-39-4) is a chemical compound with molecular formula C43H57N5O11S and molecular weight 852.0 g/mol. Its IUPAC systematic name is methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid. Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 14 Rotatable Bonds 7 Exact Mass 851.3775 Heavy Atoms 60 Complexity 1650.0 InChI Key: COFJBSXICYYSKG-FJFFLIEUSA-N. SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O.

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