AH85435
869113-09-7 | 1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
Manufacturer: A2B Chem
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CatalogNumber
AH85435
ChemicalName
1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
CasNumber
869113-09-7
MolecularFormula
C29H34BrNO2
MolecularWeight
508.4898
MdlNumber
MFCD27976798
Smiles
OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity
543
Covalently-bondedUnitCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
8
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CatalogNumber: AH85435
ChemicalName: 1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
CasNumber: 869113-09-7
MolecularFormula: C29H34BrNO2
MolecularWeight: 508.4898
MdlNumber: MFCD27976798
Smiles: OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity: 543
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 8
CatalogNumber:
AH85435
ChemicalName:
1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
CasNumber:
869113-09-7
MolecularFormula:
C29H34BrNO2
MolecularWeight:
508.4898
MdlNumber:
MFCD27976798
Smiles:
OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Complexity:
543
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1NC(=O)Nc1c(F)cccc1Br)C(F)(F)F
Complexity: __
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Smiles:
COc1ccc(cc1NC(=O)Nc1c(F)cccc1Br)C(F)(F)F
Complexity:
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Smiles: CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
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Smiles:
CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
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CatalogNumber: AH85438
ChemicalName: Vemurafenib
CasNumber: 918504-65-1
MolecularFormula: C23H18ClF2N3O3S
MolecularWeight: 489.9221
MdlNumber: MFCD18074504
Smiles: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
Complexity: 790
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AH85438
ChemicalName:
Vemurafenib
CasNumber:
918504-65-1
MolecularFormula:
C23H18ClF2N3O3S
MolecularWeight:
489.9221
MdlNumber:
MFCD18074504
Smiles:
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
Complexity:
790
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7