AB45733
50-63-5 | Chloroquine diphosphate
Manufacturer: A2B Chem
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CatalogNumber
AB45733
ChemicalName
Chloroquine diphosphate
CasNumber
50-63-5
MolecularFormula
C18H30ClN3O7P2
MolecularWeight
497.8472
MdlNumber
MFCD00069852
Smiles
OP(=O)(OP(=O)(O)O)O.CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
Complexity
359
Covalently-bondedUnitCount
3
HeavyAtomCount
32
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
7
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB45733
ChemicalName: Chloroquine diphosphate
CasNumber: 50-63-5
MolecularFormula: C18H30ClN3O7P2
MolecularWeight: 497.8472
MdlNumber: MFCD00069852
Smiles: OP(=O)(OP(=O)(O)O)O.CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
Complexity: 359
Covalently-bondedUnitCount: 3
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 7
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB45733
ChemicalName:
Chloroquine diphosphate
CasNumber:
50-63-5
MolecularFormula:
C18H30ClN3O7P2
MolecularWeight:
497.8472
MdlNumber:
MFCD00069852
Smiles:
OP(=O)(OP(=O)(O)O)O.CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
Complexity:
359
Covalently-bondedUnitCount:
3
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
7
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NS(=O)(=O)Cl
Complexity: 95.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NS(=O)(=O)Cl
Complexity:
95.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(O[Ti](OC(C)C)(OC(C)C)Cl)C
Complexity: 12.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(O[Ti](OC(C)C)(OC(C)C)Cl)C
Complexity:
12.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[Si](Cl)(C)C
Complexity: 28.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[Si](Cl)(C)C
Complexity:
28.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__