AA56713
1380575-43-8 | Ceritinib 2hcl
Manufacturer: A2B Chem
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CatalogNumber
AA56713
ChemicalName
Ceritinib 2hcl
CasNumber
1380575-43-8
MolecularFormula
C28H38Cl3N5O3S
MolecularWeight
631.057
MdlNumber
MFCD26142928
Smiles
CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C.Cl.Cl
Complexity
835
Covalently-bondedUnitCount
3
HeavyAtomCount
40
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
5
RotatableBondCount
9
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CatalogNumber: AA56713
ChemicalName: Ceritinib 2hcl
CasNumber: 1380575-43-8
MolecularFormula: C28H38Cl3N5O3S
MolecularWeight: 631.057
MdlNumber: MFCD26142928
Smiles: CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C.Cl.Cl
Complexity: 835
Covalently-bondedUnitCount: 3
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 5
RotatableBondCount: 9
CatalogNumber:
AA56713
ChemicalName:
Ceritinib 2hcl
CasNumber:
1380575-43-8
MolecularFormula:
C28H38Cl3N5O3S
MolecularWeight:
631.057
MdlNumber:
MFCD26142928
Smiles:
CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C.Cl.Cl
Complexity:
835
Covalently-bondedUnitCount:
3
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
5
RotatableBondCount:
9
CatalogNumber: __
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Smiles: O=C(c1cncnc1)Oc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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Smiles:
O=C(c1cncnc1)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ncccn1)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1ncccn1)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CNC2(C1)COC2.C1CNC2(C1)COC2.OC(=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CNC2(C1)COC2.C1CNC2(C1)COC2.OC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__