AC99597
903576-44-3 | Pitolisant hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AC99597
ChemicalName
Pitolisant hydrochloride
CasNumber
903576-44-3
MolecularFormula
C17H27Cl2NO
MolecularWeight
332.30838000000006
MdlNumber
MFCD09970745
Smiles
Clc1ccc(cc1)CCCOCCCN1CCCCC1.Cl
Complexity
235
Covalently-bondedUnitCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
8
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CatalogNumber: AC99597
ChemicalName: Pitolisant hydrochloride
CasNumber: 903576-44-3
MolecularFormula: C17H27Cl2NO
MolecularWeight: 332.30838000000006
MdlNumber: MFCD09970745
Smiles: Clc1ccc(cc1)CCCOCCCN1CCCCC1.Cl
Complexity: 235
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 8
CatalogNumber:
AC99597
ChemicalName:
Pitolisant hydrochloride
CasNumber:
903576-44-3
MolecularFormula:
C17H27Cl2NO
MolecularWeight:
332.30838000000006
MdlNumber:
MFCD09970745
Smiles:
Clc1ccc(cc1)CCCOCCCN1CCCCC1.Cl
Complexity:
235
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(C2=O)cccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(C2=O)cccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AC99606
ChemicalName: 5-Bromo-2-iodobenzaldehyde
CasNumber: 689291-89-2
MolecularFormula: C7H4BrIO
MolecularWeight: 310.9145
MdlNumber: MFCD07779026
Smiles: O=Cc1cc(Br)ccc1I
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AC99606
ChemicalName:
5-Bromo-2-iodobenzaldehyde
CasNumber:
689291-89-2
MolecularFormula:
C7H4BrIO
MolecularWeight:
310.9145
MdlNumber:
MFCD07779026
Smiles:
O=Cc1cc(Br)ccc1I
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(c3CCC(=O)O)CC(=O)O)C=C3N=C(C=c4[nH]c(=CC1=N2)c(CC(=O)O)c4CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(c3CCC(=O)O)CC(=O)O)C=C3N=C(C=c4[nH]c(=CC1=N2)c(CC(=O)O)c4CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__