AB48595
91599-74-5 | Benidipine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB48595
ChemicalName
Benidipine hydrochloride
CasNumber
91599-74-5
MolecularFormula
C28H32ClN3O6
MolecularWeight
542.0232
MdlNumber
MFCD00906929
Smiles
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@@H]1CCCN(C1)Cc1ccccc1)C.Cl
Complexity
933
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
38
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
8
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CatalogNumber: AB48595
ChemicalName: Benidipine hydrochloride
CasNumber: 91599-74-5
MolecularFormula: C28H32ClN3O6
MolecularWeight: 542.0232
MdlNumber: MFCD00906929
Smiles: COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@@H]1CCCN(C1)Cc1ccccc1)C.Cl
Complexity: 933
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 8
CatalogNumber:
AB48595
ChemicalName:
Benidipine hydrochloride
CasNumber:
91599-74-5
MolecularFormula:
C28H32ClN3O6
MolecularWeight:
542.0232
MdlNumber:
MFCD00906929
Smiles:
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@@H]1CCCN(C1)Cc1ccccc1)C.Cl
Complexity:
933
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
8
CatalogNumber: AB48596
ChemicalName: Diethyl difluoromalonate
CasNumber: 680-65-9
MolecularFormula: C7H10F2O4
MolecularWeight: 196.1487
MdlNumber: MFCD00221617
Smiles: CCOC(=O)C(C(=O)OCC)(F)F
Complexity: 183
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
CatalogNumber:
AB48596
ChemicalName:
Diethyl difluoromalonate
CasNumber:
680-65-9
MolecularFormula:
C7H10F2O4
MolecularWeight:
196.1487
MdlNumber:
MFCD00221617
Smiles:
CCOC(=O)C(C(=O)OCC)(F)F
Complexity:
183
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccnc(n1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccnc(n1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB48598
ChemicalName: 4-Chloro-2-methylpyrimidine-5-carboxylic acid
CasNumber: 933702-81-9
MolecularFormula: C6H5ClN2O2
MolecularWeight: 172.5691
MdlNumber: MFCD10000835
Smiles: Cc1ncc(c(n1)Cl)C(=O)O
Complexity: 165
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB48598
ChemicalName:
4-Chloro-2-methylpyrimidine-5-carboxylic acid
CasNumber:
933702-81-9
MolecularFormula:
C6H5ClN2O2
MolecularWeight:
172.5691
MdlNumber:
MFCD10000835
Smiles:
Cc1ncc(c(n1)Cl)C(=O)O
Complexity:
165
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1