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(E)-{1-butyl-1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate

Catalog ID
STK597834
SMILES CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H33N3O6 MW 519.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O6/c1-4-5-14-31-21-10-7-6-9-20(21)29(28(31)36)24(26(34)27(35)32(29)15-8-13-30(2)3)25(33)19-11-12-22-23(18-19)38-17-16-37-22/h6-7,9-12,18,33H,4-5,8,13-17H2,1-3H3/b25-24-
InChIKey
SPSUTUQIKJSWMB-IZHYLOQSSA-N
Synonyms
847242-87-9
(4E)1BUTYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)(1butyl1(3(dimethylammonio)propyl)245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1butyl1(3(dimethylazaniumyl)propyl)245trioxospiro(indole32pyrrolidine)3ylidene)(23dihydro14benzodioxin6yl)methanolate
847242879
CCCCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)(O))C(=O)C(=O)N3CCC(NH+)(C)C
CCCCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)(O))C(=O)C(=O)N2CCC(NH+)(C)C
InChI=1SC29H33N3O6c1451431211076920(21)29(28(31)36)24(26(34)27(35)32(29)1581330(2)3)25(33)1911122223(1819)3817163722h679121833H4581317H213H3b2524
MFCD07210037
ZINC000009015076
ZINC000009015077

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Available files

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