AD26223
140-64-7 | Pentamidine isethionate
Manufacturer: A2B Chem
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CatalogNumber
AD26223
ChemicalName
Pentamidine isethionate
CasNumber
140-64-7
MolecularFormula
C23H36N4O10S2
MolecularWeight
592.6827
MdlNumber
MFCD00079213
Smiles
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O
Complexity
493
Covalently-bondedUnitCount
3
HeavyAtomCount
39
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
8
RotatableBondCount
14
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CatalogNumber: AD26223
ChemicalName: Pentamidine isethionate
CasNumber: 140-64-7
MolecularFormula: C23H36N4O10S2
MolecularWeight: 592.6827
MdlNumber: MFCD00079213
Smiles: NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O
Complexity: 493
Covalently-bondedUnitCount: 3
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 8
RotatableBondCount: 14
CatalogNumber:
AD26223
ChemicalName:
Pentamidine isethionate
CasNumber:
140-64-7
MolecularFormula:
C23H36N4O10S2
MolecularWeight:
592.6827
MdlNumber:
MFCD00079213
Smiles:
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O
Complexity:
493
Covalently-bondedUnitCount:
3
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
8
RotatableBondCount:
14
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Smiles: CC1(O)CC[C@H]2C[C@@H]1C2(C)C
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CC1(O)CC[C@H]2C[C@@H]1C2(C)C
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Smiles: OC(=O)c1ccc2c(c1)[nH]c(c2C1CCCCC1)Br
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OC(=O)c1ccc2c(c1)[nH]c(c2C1CCCCC1)Br
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Smiles: OCc1ccc(cc1)c1ncccc1C#N
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Smiles:
OCc1ccc(cc1)c1ncccc1C#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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