AI36175
145040-37-5 | Candesartan cilexetil
Manufacturer: A2B Chem
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CatalogNumber
AI36175
ChemicalName
Candesartan cilexetil
CasNumber
145040-37-5
MolecularFormula
C33H34N6O6
MolecularWeight
610.6597
MdlNumber
MFCD00871371
Smiles
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
NscNumber
758697
Complexity
962
Covalently-bondedUnitCount
1
HeavyAtomCount
45
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
13
UndefinedAtomStereocenterCount
1
Xlogp3
7
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CatalogNumber: AI36175
ChemicalName: Candesartan cilexetil
CasNumber: 145040-37-5
MolecularFormula: C33H34N6O6
MolecularWeight: 610.6597
MdlNumber: MFCD00871371
Smiles: CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
NscNumber: 758697
Complexity: 962
Covalently-bondedUnitCount: 1
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 13
UndefinedAtomStereocenterCount: 1
Xlogp3: 7
CatalogNumber:
AI36175
ChemicalName:
Candesartan cilexetil
CasNumber:
145040-37-5
MolecularFormula:
C33H34N6O6
MolecularWeight:
610.6597
MdlNumber:
MFCD00871371
Smiles:
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
NscNumber:
758697
Complexity:
962
Covalently-bondedUnitCount:
1
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
13
UndefinedAtomStereocenterCount:
1
Xlogp3:
7
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Smiles: O=Cc1cccn1[C@H](C(=O)O)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=Cc1cccn1[C@H](C(=O)O)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CCCCCCc1cc(sc1Br)c1c(F)c(F)c(c2c1nsn2)c1cc(c(s1)Br)CCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCc1cc(sc1Br)c1c(F)c(F)c(c2c1nsn2)c1cc(c(s1)Br)CCCCCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(C)[nH]c2c1cccn2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(C)[nH]c2c1cccn2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__