AI67749
135159-51-2 | Sarpogrelate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI67749
ChemicalName
Sarpogrelate hydrochloride
CasNumber
135159-51-2
MolecularFormula
C24H32ClNO6
MolecularWeight
465.967
MdlNumber
MFCD00887582
Smiles
COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C.Cl
Complexity
540
Covalently-bondedUnitCount
2
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
14
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI67749
ChemicalName: Sarpogrelate hydrochloride
CasNumber: 135159-51-2
MolecularFormula: C24H32ClNO6
MolecularWeight: 465.967
MdlNumber: MFCD00887582
Smiles: COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C.Cl
Complexity: 540
Covalently-bondedUnitCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 14
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI67749
ChemicalName:
Sarpogrelate hydrochloride
CasNumber:
135159-51-2
MolecularFormula:
C24H32ClNO6
MolecularWeight:
465.967
MdlNumber:
MFCD00887582
Smiles:
COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C.Cl
Complexity:
540
Covalently-bondedUnitCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
14
UndefinedAtomStereocenterCount:
1
CatalogNumber: AI67750
ChemicalName: Penicillin V Potassium
CasNumber: 132-98-9
MolecularFormula: C16H18KN2O5S
MolecularWeight: 389.4878199999999
MdlNumber: MFCD00051771
Smiles: O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K]
Complexity: 553
Covalently-bondedUnitCount: 2
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI67750
ChemicalName:
Penicillin V Potassium
CasNumber:
132-98-9
MolecularFormula:
C16H18KN2O5S
MolecularWeight:
389.4878199999999
MdlNumber:
MFCD00051771
Smiles:
O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K]
Complexity:
553
Covalently-bondedUnitCount:
2
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C1=CC(=O)[C@@](O1)(C)[C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C1=CC(=O)[C@@](O1)(C)[C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__