AB51484
872728-81-9 | Dabigatran etexilate mesylate
Manufacturer: A2B Chem
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CatalogNumber
AB51484
ChemicalName
Dabigatran etexilate mesylate
CasNumber
872728-81-9
MolecularFormula
C35H45N7O8S
MolecularWeight
723.8389
MdlNumber
MFCD17215180
Smiles
CS(=O)(=O)O.CCCCCCOC(=O)N/N=C/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC
Complexity
1100
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
51
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
3
RotatableBondCount
17
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CatalogNumber: AB51484
ChemicalName: Dabigatran etexilate mesylate
CasNumber: 872728-81-9
MolecularFormula: C35H45N7O8S
MolecularWeight: 723.8389
MdlNumber: MFCD17215180
Smiles: CS(=O)(=O)O.CCCCCCOC(=O)N/N=C/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC
Complexity: 1100
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 3
RotatableBondCount: 17
CatalogNumber:
AB51484
ChemicalName:
Dabigatran etexilate mesylate
CasNumber:
872728-81-9
MolecularFormula:
C35H45N7O8S
MolecularWeight:
723.8389
MdlNumber:
MFCD17215180
Smiles:
CS(=O)(=O)O.CCCCCCOC(=O)N/N=C/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC
Complexity:
1100
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
3
RotatableBondCount:
17
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)C=CC(=O)O.OC(=O)C=CC(=O)O.CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C
Complexity: __
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Smiles:
OC(=O)C=CC(=O)O.OC(=O)C=CC(=O)O.CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F
Complexity: 477
Covalently-bondedUnitCount: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
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Smiles:
Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F
Complexity:
477
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: CC(CC(C)(C)C)CC(=O)[O-].[K+]
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC(C)(C)C)CC(=O)[O-].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__