AH90219
87233-62-3 | Emedastine difumarate
Manufacturer: A2B Chem
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CatalogNumber
AH90219
ChemicalName
Emedastine difumarate
CasNumber
87233-62-3
MolecularFormula
C25H34N4O9
MolecularWeight
534.5588599999999
MdlNumber
MFCD00923844
Smiles
OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
Complexity
460
Covalently-bondedUnitCount
3
DefinedBondStereocenterCount
2
HeavyAtomCount
38
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
4
RotatableBondCount
9
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CatalogNumber: AH90219
ChemicalName: Emedastine difumarate
CasNumber: 87233-62-3
MolecularFormula: C25H34N4O9
MolecularWeight: 534.5588599999999
MdlNumber: MFCD00923844
Smiles: OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
Complexity: 460
Covalently-bondedUnitCount: 3
DefinedBondStereocenterCount: 2
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 4
RotatableBondCount: 9
CatalogNumber:
AH90219
ChemicalName:
Emedastine difumarate
CasNumber:
87233-62-3
MolecularFormula:
C25H34N4O9
MolecularWeight:
534.5588599999999
MdlNumber:
MFCD00923844
Smiles:
OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
Complexity:
460
Covalently-bondedUnitCount:
3
DefinedBondStereocenterCount:
2
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
4
RotatableBondCount:
9
CatalogNumber: __
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Smiles: CC(C)(C)P1OC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)O1
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Smiles:
CC(C)(C)P1OC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)O1
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Smiles: O=C(c1ccccc1CN1CCCCC1)c1ccc(c(c1)F)Cl
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Smiles:
O=C(c1ccccc1CN1CCCCC1)c1ccc(c(c1)F)Cl
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Smiles: CCCCCCCCCCCCCC[C@H]([C@H](C(NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)CO[C@H]1OC(CNC(=O)C)[C@@H]([C@@H](C1O)O)O)O)O
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CatalogNumber:
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Smiles:
CCCCCCCCCCCCCC[C@H]([C@H](C(NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)CO[C@H]1OC(CNC(=O)C)[C@@H]([C@@H](C1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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