vinepidine sulfate
chemical compound
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vinepidine sulfate
Summary
vinepidine sulfate is a group of stereoisomers[1].
Key Facts
- vinepidine sulfate's instance of is recorded as group of stereoisomers[2].
- vinepidine sulfate's CAS Registry Number is recorded as 83200-11-7[3].
- vinepidine sulfate's canonical SMILES is recorded as CCC1CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.OS(=O)(=O)O[4].
- vinepidine sulfate's InChI is recorded as InChI=1S/C46H56N4O9.H2O4S/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6;1-5(2,3)4/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3;(H2,1,2,3,4)/t28-,29-,38-,39+,40+,43+,44+,45-,46-;/m0./s1[5].
- vinepidine sulfate's InChIKey is recorded as BCXOZISMDZTYHW-IFQBWSDRSA-N[6].
- vinepidine sulfate's chemical formula is recorded as C₄₆H₅₈N₄O₁₃S[7].
- vinepidine sulfate's subclass of is recorded as chemical compound[8].
- vinepidine sulfate's UNII is recorded as LS5489G27S[9].
- vinepidine sulfate's ChemSpider ID is recorded as 32700330[10].
- vinepidine sulfate's PubChem CID is recorded as 23725066[11].
- vinepidine sulfate's isomeric SMILES is recorded as CC[C@H]1C[C@H]2CC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OC.OS(=O)(=O)OC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HOC(=O)C)CC)OC)C(=O)OC.">[12].
- vinepidine sulfate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+906.372'}[13].
- vinepidine sulfate's SureChEMBL ID is recorded as 29376135[14].
- vinepidine sulfate's DSSTox substance ID is recorded as DTXSID101003197[15].
- vinepidine sulfate's DSSTOX compound identifier is recorded as DTXCID401430115[16].
- vinepidine sulfate's UniChem compound ID is recorded as 27309198[17].