Lovenox
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CAS Number 91449-79-5
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Catalog Number io-406838
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Molecular Weight 1134.9000
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SMILES CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Clexane |
| 2 | Ardeparin |
| 3 | Clivarin |
| 4 | Nadroparine |
| 5 | Bemiparin |
| Molecular Formula | C26H42N2O37S5 |
|---|---|
| Canonical SMILES | CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O |
| Isomeric SMILES | CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O |
| Molecular Weight | 1134.9000 |
| InChIKey | HTTJABKRGRZYRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54) |
| XLogP | -10.8000 |
| ExactMass | 1134.0070 |
| MonoisotopicMass | 1134.0070 |
| TPSA | 652.0000 |
| Complexity | 2410.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 15 |
| HBondAcceptorCount | 38 |
| RotatableBondCount | 21 |
| HeavyAtomCount | 70 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 20 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 20 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 47904 |
| PatentFamilyCount | 17354 |
| LiteratureCount | 787 |
