AH51110
835621-07-3 | Regorafenib HCl
Manufacturer: A2B Chem
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CatalogNumber
AH51110
ChemicalName
Regorafenib HCl
CasNumber
835621-07-3
MolecularFormula
C21H16Cl2F4N4O3
MolecularWeight
519.2764
MdlNumber
MFCD22417053
Smiles
CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl.Cl
Complexity
686
Covalently-bondedUnitCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
5
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CatalogNumber: AH51110
ChemicalName: Regorafenib HCl
CasNumber: 835621-07-3
MolecularFormula: C21H16Cl2F4N4O3
MolecularWeight: 519.2764
MdlNumber: MFCD22417053
Smiles: CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl.Cl
Complexity: 686
Covalently-bondedUnitCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 5
CatalogNumber:
AH51110
ChemicalName:
Regorafenib HCl
CasNumber:
835621-07-3
MolecularFormula:
C21H16Cl2F4N4O3
MolecularWeight:
519.2764
MdlNumber:
MFCD22417053
Smiles:
CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl.Cl
Complexity:
686
Covalently-bondedUnitCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
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Smiles: C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)/[C@@H]([C@H](/C=C/C=C(/C(=O)N2)C)OC)OC(=O)N)O
Complexity: __
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Smiles:
C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)/[C@@H]([C@H](/C=C/C=C(/C(=O)N2)C)OC)OC(=O)N)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)/[C@@H]([C@H](C=CC=C(C(=O)N2)C)OC)OC(=O)N)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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Smiles:
C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(C)/[C@@H]([C@H](C=CC=C(C(=O)N2)C)OC)OC(=O)N)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2-c3c(C(=O)c12)c(ccc3)NC(=O)NN1CCOCC1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2-c3c(C(=O)c12)c(ccc3)NC(=O)NN1CCOCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__