AI54625
66309-69-1 | Cefotiam dihydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI54625
ChemicalName
Cefotiam dihydrochloride
CasNumber
66309-69-1
MolecularFormula
C18H25Cl2N9O4S3
MolecularWeight
598.55
MdlNumber
MFCD20488053
Smiles
CN(CCn1nnnc1SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C.Cl.Cl
Complexity
848
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
2
HeavyAtomCount
36
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
5
RotatableBondCount
10
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CatalogNumber: AI54625
ChemicalName: Cefotiam dihydrochloride
CasNumber: 66309-69-1
MolecularFormula: C18H25Cl2N9O4S3
MolecularWeight: 598.55
MdlNumber: MFCD20488053
Smiles: CN(CCn1nnnc1SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C.Cl.Cl
Complexity: 848
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 5
RotatableBondCount: 10
CatalogNumber:
AI54625
ChemicalName:
Cefotiam dihydrochloride
CasNumber:
66309-69-1
MolecularFormula:
C18H25Cl2N9O4S3
MolecularWeight:
598.55
MdlNumber:
MFCD20488053
Smiles:
CN(CCn1nnnc1SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C.Cl.Cl
Complexity:
848
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
5
RotatableBondCount:
10
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cccc2c1ncnc2O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc2c1ncnc2O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI54627
ChemicalName: Dimethyl 4,5-dihydroxyphthalate
CasNumber: 66323-03-3
MolecularFormula: C10H10O6
MolecularWeight: 226.1828
MdlNumber: MFCD20265697
Smiles: COC(=O)c1cc(O)c(cc1C(=O)OC)O
Complexity: 249
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AI54627
ChemicalName:
Dimethyl 4,5-dihydroxyphthalate
CasNumber:
66323-03-3
MolecularFormula:
C10H10O6
MolecularWeight:
226.1828
MdlNumber:
MFCD20265697
Smiles:
COC(=O)c1cc(O)c(cc1C(=O)OC)O
Complexity:
249
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__