AH18466
69659-80-9 | Sodium tanshinone IIA sulfonate
Manufacturer: A2B Chem
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CatalogNumber
AH18466
ChemicalName
Sodium tanshinone IIA sulfonate
CasNumber
69659-80-9
MolecularFormula
C19H18NaO6S
MolecularWeight
397.3973899999998
MdlNumber
MFCD09028094
Smiles
O=C1c2c(-c3c(C1=O)c(C)c(o3)S(=O)(=O)O)ccc1c2CCCC1(C)C.[Na]
Complexity
742
Covalently-bondedUnitCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
RotatableBondCount
1
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CatalogNumber: AH18466
ChemicalName: Sodium tanshinone IIA sulfonate
CasNumber: 69659-80-9
MolecularFormula: C19H18NaO6S
MolecularWeight: 397.3973899999998
MdlNumber: MFCD09028094
Smiles: O=C1c2c(-c3c(C1=O)c(C)c(o3)S(=O)(=O)O)ccc1c2CCCC1(C)C.[Na]
Complexity: 742
Covalently-bondedUnitCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
CatalogNumber:
AH18466
ChemicalName:
Sodium tanshinone IIA sulfonate
CasNumber:
69659-80-9
MolecularFormula:
C19H18NaO6S
MolecularWeight:
397.3973899999998
MdlNumber:
MFCD09028094
Smiles:
O=C1c2c(-c3c(C1=O)c(C)c(o3)S(=O)(=O)O)ccc1c2CCCC1(C)C.[Na]
Complexity:
742
Covalently-bondedUnitCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
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Smiles: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C(C)C)C(C)C)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)CCCCN)CC(C)C)CC(=O)O)NC(=O)C(C(O)C)NC(=O)C(C(O)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)O)C)C)CC(=O)O)CO)CO)CCC(=O)O
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NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C(C)C)C(C)C)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)CCCCN)CC(C)C)CC(=O)O)NC(=O)C(C(O)C)NC(=O)C(C(O)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)O)C)C)CC(=O)O)CO)CO)CCC(=O)O
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