vinrosidine sulfate
chemical compound
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vinrosidine sulfate
Summary
vinrosidine sulfate is a group of stereoisomers[1].
Key Facts
- vinrosidine sulfate's instance of is recorded as group of stereoisomers[2].
- vinrosidine sulfate's CAS Registry Number is recorded as 18556-44-0[3].
- vinrosidine sulfate's canonical SMILES is recorded as CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O[4].
- vinrosidine sulfate's InChI is recorded as InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42+,43+,44+,45-,46-;/m0./s1[5].
- vinrosidine sulfate's InChIKey is recorded as KDQAABAKXDWYSZ-SDCRJXSCSA-N[6].
- vinrosidine sulfate's chemical formula is recorded as C₄₆H₆₀N₄O₁₃S[7].
- vinrosidine sulfate's subclass of is recorded as chemical compound[8].
- vinrosidine sulfate's UNII is recorded as 4944BQ2GBF[9].
- vinrosidine sulfate's ChemSpider ID is recorded as 61816[10].
- vinrosidine sulfate's PubChem CID is recorded as 68542[11].
- vinrosidine sulfate's isomeric SMILES is recorded as CC[C@]1(C[C@H]2CC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)OC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OC)O">[12].
- vinrosidine sulfate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+908.388'}[13].
- vinrosidine sulfate's Google Knowledge Graph ID is recorded as /g/11gf9b8079[14].
- vinrosidine sulfate's DSSTox substance ID is recorded as DTXSID7047853[15].
- vinrosidine sulfate's DSSTOX compound identifier is recorded as DTXCID7027831[16].
- vinrosidine sulfate's UniChem compound ID is recorded as 27309512[17].