AI55017
69-74-9 | Cytarabine HCl
Manufacturer: A2B Chem
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CatalogNumber
AI55017
ChemicalName
Cytarabine HCl
CasNumber
69-74-9
MolecularFormula
C9H14ClN3O5
MolecularWeight
279.6776
MdlNumber
MFCD00012839
Smiles
OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)n1ccc(nc1=O)N.Cl
Complexity
383
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
4
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
5
RotatableBondCount
2
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CatalogNumber: AI55017
ChemicalName: Cytarabine HCl
CasNumber: 69-74-9
MolecularFormula: C9H14ClN3O5
MolecularWeight: 279.6776
MdlNumber: MFCD00012839
Smiles: OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)n1ccc(nc1=O)N.Cl
Complexity: 383
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 5
RotatableBondCount: 2
CatalogNumber:
AI55017
ChemicalName:
Cytarabine HCl
CasNumber:
69-74-9
MolecularFormula:
C9H14ClN3O5
MolecularWeight:
279.6776
MdlNumber:
MFCD00012839
Smiles:
OC[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)n1ccc(nc1=O)N.Cl
Complexity:
383
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
5
RotatableBondCount:
2
CatalogNumber: AI55018
ChemicalName: 5,5'-Dithiobis(2-nitrobenzoic acid)
CasNumber: 69-78-3
MolecularFormula: C14H8N2O8S2
MolecularWeight: 396.3519199999999
MdlNumber: MFCD00007140
Smiles: OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O
Complexity: 528
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AI55018
ChemicalName:
5,5'-Dithiobis(2-nitrobenzoic acid)
CasNumber:
69-78-3
MolecularFormula:
C14H8N2O8S2
MolecularWeight:
396.3519199999999
MdlNumber:
MFCD00007140
Smiles:
OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)N(=O)=O)ccc1N(=O)=O
Complexity:
528
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: AI55019
ChemicalName: Toltrazuril
CasNumber: 69004-03-1
MolecularFormula: C18H14F3N3O4S
MolecularWeight: 425.3817
MdlNumber: MFCD00867201
Smiles: Cc1cc(ccc1Oc1ccc(cc1)SC(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AI55019
ChemicalName:
Toltrazuril
CasNumber:
69004-03-1
MolecularFormula:
C18H14F3N3O4S
MolecularWeight:
425.3817
MdlNumber:
MFCD00867201
Smiles:
Cc1cc(ccc1Oc1ccc(cc1)SC(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1CCC(C1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1CCC(C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__