Capac SQ3370
sodium 2-[[(1R,3R,4E)-3-[[(2S,3R,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carbonyl]amino]acetate
Molecular Identity
Capac SQ3370
sodium 2-[[(1R,3R,4E)-3-[[(2S,3R,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]-1-methylcyclooct-4-ene-1-carbonyl]amino]acetate
PubChem CID: 171378324
2D Structure
Properties
C40H45N2NaO16
Molecular Formula
832.80
Molecular Weight
g/mol
832.2667
Exact Mass
Da
288
TPSA
May have limited oral absorption
7
H-Bond Donors
16
H-Bond Acceptors
1630
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OC6CC(CCCC=C6)(C)C(=O)NCC(=O)[O-])O.[Na+]Isomeric SMILES
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)O[C@@H]\6C[C@](CCC/C=C6)(C)C(=O)NCC(=O)[O-])O.[Na+]Synonyms(4)
CAPAC SQ3370GLXC-27287SQ3370Sodium ((1R,3R,E)-3-((((2S,3R,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)carbamoyl)oxy)-1-methylcyclooct-4-ene-1-carbonyl)glycinat
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Capac SQ3370
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