(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] methanesulfonate

CAS

186204-37-5

Catalog Number

ACM186204375

Category

Other Products

Molecular Weight

422.564740 [g/mol]

Molecular Formula

C19H26N4O3S2

MSDS COA Spec Sheet

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Specification

Synonyms

186204-37-5, 4-(Benzo[d]isothiazol-3-yl)-1-((3aR,7aR)-hexahydro-1H-isoindol-2(3H)-yl)piperazin-1-ium-1-sulfonate, SCHEMBL2540360, AKOS024462922, AK160912, ST24043013

IUPAC Name

1-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-sulfonate

Canonical SMILES

C1CCC2CN(CC2C1)[N+]3(CCN(CC3)C4=NSC5=CC=CC=C54)S(=O)(=O)[O-]

InChI Key

FKKBEEHBJWWXMP-HOTGVXAUSA-N

Exact Mass

422.14500

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

186204-35-3
87691-87-0

186204-37-5

Reference: [1]Patent: WO2015/56205,2015,A1 .Location in patent: Page/Page column 14

Downstream Synthesis Route 1

186204-37-5
14805-29-9

367514-88-3

Reference: [1] Patent: WO2015/56205, 2015, A1, . Location in patent: Page/Page column 14

Downstream Synthesis Route 2

186204-37-5
1074-82-4

1260025-92-0

Reference: [1]Current Patent Assignee: Sumitomo Chemical (w/o Dongwoo Fine-Chem); Sumitomo Pharma (in: Sumitomo Chemical); SUMITOMO CHEMICAL COMPANY LIMITED - US2011/3994, 2011, A1
Location in patent: Page/Page column 6-7

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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