AI16502
125317-39-7 | Vinorelbine Ditartrate
Manufacturer: A2B Chem
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CatalogNumber
AI16502
ChemicalName
Vinorelbine Ditartrate
CasNumber
125317-39-7
MolecularFormula
C53H67N4O20
MolecularWeight
1080.1139
MdlNumber
MFCD12545773
Smiles
OC(C(C(=O)O)O)C(=O)O.OC(C(C(=O)O)O)C(=O)O.COC(=O)[N]1(c2cc3c(cc2OC)N(C2C43CCN3C4C(CC)(C=CC3)C(C2(O)C(=O)OC)OC(=O)C)C)c2ccccc2C2=C1CCC1CN(C2)CC(=C1)CC
Complexity
1820
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
12
HeavyAtomCount
77
HydrogenBondAcceptorCount
23
HydrogenBondDonorCount
10
RotatableBondCount
16
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CatalogNumber: AI16502
ChemicalName: Vinorelbine Ditartrate
CasNumber: 125317-39-7
MolecularFormula: C53H67N4O20
MolecularWeight: 1080.1139
MdlNumber: MFCD12545773
Smiles: OC(C(C(=O)O)O)C(=O)O.OC(C(C(=O)O)O)C(=O)O.COC(=O)[N]1(c2cc3c(cc2OC)N(C2C43CCN3C4C(CC)(C=CC3)C(C2(O)C(=O)OC)OC(=O)C)C)c2ccccc2C2=C1CCC1CN(C2)CC(=C1)CC
Complexity: 1820
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 12
HeavyAtomCount: 77
HydrogenBondAcceptorCount: 23
HydrogenBondDonorCount: 10
RotatableBondCount: 16
CatalogNumber:
AI16502
ChemicalName:
Vinorelbine Ditartrate
CasNumber:
125317-39-7
MolecularFormula:
C53H67N4O20
MolecularWeight:
1080.1139
MdlNumber:
MFCD12545773
Smiles:
OC(C(C(=O)O)O)C(=O)O.OC(C(C(=O)O)O)C(=O)O.COC(=O)[N]1(c2cc3c(cc2OC)N(C2C43CCN3C4C(CC)(C=CC3)C(C2(O)C(=O)OC)OC(=O)C)C)c2ccccc2C2=C1CCC1CN(C2)CC(=C1)CC
Complexity:
1820
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
12
HeavyAtomCount:
77
HydrogenBondAcceptorCount:
23
HydrogenBondDonorCount:
10
RotatableBondCount:
16
CatalogNumber: AI16503
ChemicalName: Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CasNumber: 1253200-82-6
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD27997481
Smiles: C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
Complexity: 308
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AI16503
ChemicalName:
Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CasNumber:
1253200-82-6
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD27997481
Smiles:
C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
Complexity:
308
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: O=C1COCc2c1sc(=N)[nH]2
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O=C1COCc2c1sc(=N)[nH]2
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Smiles: NCCC1COC1.Cl
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NCCC1COC1.Cl
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