AB51483
34183-22-7 | 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB51483
ChemicalName
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride
CasNumber
34183-22-7
MolecularFormula
C21H28ClNO3
MolecularWeight
377.9049
MdlNumber
MFCD00079243
Smiles
CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O.Cl
NscNumber
758640
Complexity
368
Covalently-bondedUnitCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
11
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB51483
ChemicalName: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride
CasNumber: 34183-22-7
MolecularFormula: C21H28ClNO3
MolecularWeight: 377.9049
MdlNumber: MFCD00079243
Smiles: CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O.Cl
NscNumber: 758640
Complexity: 368
Covalently-bondedUnitCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 11
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB51483
ChemicalName:
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride
CasNumber:
34183-22-7
MolecularFormula:
C21H28ClNO3
MolecularWeight:
377.9049
MdlNumber:
MFCD00079243
Smiles:
CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O.Cl
NscNumber:
758640
Complexity:
368
Covalently-bondedUnitCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
11
UndefinedAtomStereocenterCount:
1
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
NscNumber: __
Complexity: 1100
Covalently-bondedUnitCount: 2
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 3
RotatableBondCount: 17
UndefinedAtomStereocenterCount: __
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
NscNumber:
__
Complexity:
1100
Covalently-bondedUnitCount:
2
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
3
RotatableBondCount:
17
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
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
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
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
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F
NscNumber: __
Complexity: 477
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F
NscNumber:
__
Complexity:
477
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__