AI36438
147098-18-8 | Rosuvastatin sodium
Manufacturer: A2B Chem
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CatalogNumber
AI36438
ChemicalName
Rosuvastatin sodium
CasNumber
147098-18-8
MolecularFormula
C22H27FN3NaO6S
MolecularWeight
503.5195
MdlNumber
MFCD00917209
Smiles
O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.[Na+]
Complexity
773
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
10
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CatalogNumber: AI36438
ChemicalName: Rosuvastatin sodium
CasNumber: 147098-18-8
MolecularFormula: C22H27FN3NaO6S
MolecularWeight: 503.5195
MdlNumber: MFCD00917209
Smiles: O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.[Na+]
Complexity: 773
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 10
CatalogNumber:
AI36438
ChemicalName:
Rosuvastatin sodium
CasNumber:
147098-18-8
MolecularFormula:
C22H27FN3NaO6S
MolecularWeight:
503.5195
MdlNumber:
MFCD00917209
Smiles:
O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.[Na+]
Complexity:
773
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
10
CatalogNumber: AI36441
ChemicalName: {3-Methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl}boronic acid
CasNumber: 1471260-44-2
MolecularFormula: C7H8BN3O2
MolecularWeight: 176.96832
MdlNumber: MFCD27935526
Smiles: OB(c1ccn2c(c1)nnc2C)O
Complexity: 193
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI36441
ChemicalName:
{3-Methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl}boronic acid
CasNumber:
1471260-44-2
MolecularFormula:
C7H8BN3O2
MolecularWeight:
176.96832
MdlNumber:
MFCD27935526
Smiles:
OB(c1ccn2c(c1)nnc2C)O
Complexity:
193
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccnc1OC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccnc1OC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(N)c2c(n1)c(ccc2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(N)c2c(n1)c(ccc2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__