AV19873
99464-64-9 | Ampiroxicam
Manufacturer: A2B Chem
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CatalogNumber
AV19873
ChemicalName
Ampiroxicam
CasNumber
99464-64-9
MolecularFormula
C20H21N3O7S
MolecularWeight
447.4616
MdlNumber
MFCD00866079
Smiles
CCOC(=O)OC(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C
NscNumber
759807
Complexity
808
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
4
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CatalogNumber: AV19873
ChemicalName: Ampiroxicam
CasNumber: 99464-64-9
MolecularFormula: C20H21N3O7S
MolecularWeight: 447.4616
MdlNumber: MFCD00866079
Smiles: CCOC(=O)OC(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C
NscNumber: 759807
Complexity: 808
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 4
CatalogNumber:
AV19873
ChemicalName:
Ampiroxicam
CasNumber:
99464-64-9
MolecularFormula:
C20H21N3O7S
MolecularWeight:
447.4616
MdlNumber:
MFCD00866079
Smiles:
CCOC(=O)OC(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C
NscNumber:
759807
Complexity:
808
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@](c1ccccc1)(C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C)O.Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@@](c1ccccc1)(C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C)O.Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)c1cnc2c(c1c1ccccc1)ccc1c2ncc(c1c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)c1cnc2c(c1c1ccccc1)ccc1c2ncc(c1c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1NC1=NCCN1)nsn2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1NC1=NCCN1)nsn2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__