AB52831
33419-42-0 | Etoposide
Manufacturer: A2B Chem
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CatalogNumber
AB52831
ChemicalName
Etoposide
CasNumber
33419-42-0
MolecularFormula
C29H32O13
MolecularWeight
588.5566
MdlNumber
MFCD00869325
Smiles
COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1OC2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C
Complexity
969
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
10
HeavyAtomCount
42
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AB52831
ChemicalName: Etoposide
CasNumber: 33419-42-0
MolecularFormula: C29H32O13
MolecularWeight: 588.5566
MdlNumber: MFCD00869325
Smiles: COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1OC2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C
Complexity: 969
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 10
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AB52831
ChemicalName:
Etoposide
CasNumber:
33419-42-0
MolecularFormula:
C29H32O13
MolecularWeight:
588.5566
MdlNumber:
MFCD00869325
Smiles:
COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1OC2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C
Complexity:
969
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
10
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC
Complexity: 629
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC
Complexity:
629
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AB52834
ChemicalName: Piperazine-1-carboxylic acid amide hydrochloride
CasNumber: 474711-89-2
MolecularFormula: C5H12ClN3O
MolecularWeight: 165.6213
MdlNumber: MFCD06408948
Smiles: NC(=O)N1CCNCC1.Cl
Complexity: 109
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52834
ChemicalName:
Piperazine-1-carboxylic acid amide hydrochloride
CasNumber:
474711-89-2
MolecularFormula:
C5H12ClN3O
MolecularWeight:
165.6213
MdlNumber:
MFCD06408948
Smiles:
NC(=O)N1CCNCC1.Cl
Complexity:
109
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
__
Xlogp3:
__