vinfosiltine
chemical compound
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vinfosiltine
Summary
vinfosiltine is a group of stereoisomers[1].
Key Facts
- vinfosiltine's instance of is recorded as group of stereoisomers[2].
- vinfosiltine's CAS Registry Number is recorded as 123286-00-0[3].
- vinfosiltine'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)NC(C(C)C)P(=O)(OCC)OCC)O)O)CC)OC)C(=O)OC)O[4].
- vinfosiltine's InChI is recorded as InChI=1S/C51H72N5O10P/c1-10-47(60)27-32-28-50(46(59)64-9,40-34(19-23-55(29-32)30-47)33-17-14-15-18-37(33)52-40)36-25-35-38(26-39(36)63-8)54(7)43-49(35)21-24-56-22-16-20-48(11-2,42(49)56)44(57)51(43,61)45(58)53-41(31(5)6)67(62,65-12-3)66-13-4/h14-18,20,25-26,31-32,41-44,52,57,60-61H,10-13,19,21-24,27-30H2,1-9H3,(H,53,58)/t32-,41-,42-,43+,44+,47-,48+,49+,50-,51-/m0/s1[5].
- vinfosiltine's InChIKey is recorded as BOELCLFVOBIXIF-MAKKXPIGSA-N[6].
- vinfosiltine's chemical formula is recorded as C₅₁H₇₂N₅O₁₀P[7].
- vinfosiltine's subclass of is recorded as chemical compound[8].
- vinfosiltine's ChEMBL ID is recorded as CHEMBL2103757[9].
- vinfosiltine's UNII is recorded as AW1UYE6Q9I[10].
- vinfosiltine's ChemSpider ID is recorded as 28528534[11].
- vinfosiltine's PubChem CID is recorded as 70691387[12].
- vinfosiltine's isomeric SMILES is recorded as CC[C@@]1(C[C@H]2CC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HO)CC)OC)C(=O)OC)OC@@(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7C@@(C@HO)CC)">[13].
- vinfosiltine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+945.502'}[14].
- vinfosiltine's DSSTox substance ID is recorded as DTXSID10153930[15].
- vinfosiltine's DSSTOX compound identifier is recorded as DTXCID4076421[16].
- vinfosiltine's UniChem compound ID is recorded as 27273887[17].