AB76272
151767-02-1 | Montelukast sodium hydrate
Manufacturer: A2B Chem
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CatalogNumber
AB76272
ChemicalName
Montelukast sodium hydrate
CasNumber
151767-02-1
MolecularFormula
C35H35ClNNaO3S
MolecularWeight
608.1651
MdlNumber
MFCD20527317
Smiles
[O-]C(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1.[Na+]
Complexity
898
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
42
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
12
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CatalogNumber: AB76272
ChemicalName: Montelukast sodium hydrate
CasNumber: 151767-02-1
MolecularFormula: C35H35ClNNaO3S
MolecularWeight: 608.1651
MdlNumber: MFCD20527317
Smiles: [O-]C(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1.[Na+]
Complexity: 898
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 12
CatalogNumber:
AB76272
ChemicalName:
Montelukast sodium hydrate
CasNumber:
151767-02-1
MolecularFormula:
C35H35ClNNaO3S
MolecularWeight:
608.1651
MdlNumber:
MFCD20527317
Smiles:
[O-]C(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1.[Na+]
Complexity:
898
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
12
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)Nc1ccc(cc1)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)Nc1ccc(cc1)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB76274
ChemicalName: Mops hemisodium salt
CasNumber: 117961-20-3
MolecularFormula: C14H30N2NaO8S2
MolecularWeight: 441.5164
MdlNumber: MFCD00079461
Smiles: OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
Complexity: 460
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 8
CatalogNumber:
AB76274
ChemicalName:
Mops hemisodium salt
CasNumber:
117961-20-3
MolecularFormula:
C14H30N2NaO8S2
MolecularWeight:
441.5164
MdlNumber:
MFCD00079461
Smiles:
OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
Complexity:
460
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1cccc2c1c(N=Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-])c(cc2)O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1cccc2c1c(N=Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-])c(cc2)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__