AB52218
119413-54-6 | Topotecan HCl
Manufacturer: A2B Chem
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CatalogNumber
AB52218
ChemicalName
Topotecan HCl
CasNumber
119413-54-6
MolecularFormula
C23H24ClN3O5
MolecularWeight
457.9068
MdlNumber
MFCD18452857
Smiles
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(c(c4cc3Cn1c2=O)CN(C)C)O.Cl
Complexity
867
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AB52218
ChemicalName: Topotecan HCl
CasNumber: 119413-54-6
MolecularFormula: C23H24ClN3O5
MolecularWeight: 457.9068
MdlNumber: MFCD18452857
Smiles: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(c(c4cc3Cn1c2=O)CN(C)C)O.Cl
Complexity: 867
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB52218
ChemicalName:
Topotecan HCl
CasNumber:
119413-54-6
MolecularFormula:
C23H24ClN3O5
MolecularWeight:
457.9068
MdlNumber:
MFCD18452857
Smiles:
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(c(c4cc3Cn1c2=O)CN(C)C)O.Cl
Complexity:
867
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AB52219
ChemicalName: Dl-homocysteine thiolactone HCl
CasNumber: 6038-19-3
MolecularFormula: C4H8ClNOS
MolecularWeight: 153.6304
MdlNumber: MFCD00012724
Smiles: O=C1SCCC1N.Cl
Complexity: 93.7
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
CatalogNumber:
AB52219
ChemicalName:
Dl-homocysteine thiolactone HCl
CasNumber:
6038-19-3
MolecularFormula:
C4H8ClNOS
MolecularWeight:
153.6304
MdlNumber:
MFCD00012724
Smiles:
O=C1SCCC1N.Cl
Complexity:
93.7
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C.[Na+]
Complexity: 452
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C.[Na+]
Complexity:
452
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__