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

(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate Structure
CAS No.
186204-37-5
Chemical Name:
(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate
Synonyms
lurasidone-8;-piperazin]-1';(3aR,7aR)-4’-ium methanesulfonate;-ium methanesulfonate;Lurasidone Impurity 34;Lurasidone Impurity 14;-piperazinium]Methanesulfonate;Lurasidone Impurity 41 Mesylate;Lurasidone Impurity 34 Mesylate
CBNumber:
CB72549579
Molecular Formula:
C19H26N4O3S2
Molecular Weight:
422.56474
MOL File:
186204-37-5.mol
Modify Date:
2024/7/16 19:05:21

(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate Properties

solubility Chloroform (Slightly), Methanol (Slightly)
form Solid
color White to Off-White
InChI InChI=1/C19H26N3S.CH4O3S/c1-2-6-16-14-22(13-15(16)5-1)11-9-21(10-12-22)19-17-7-3-4-8-18(17)23-20-19;1-5(2,3)4/h3-4,7-8,15-16H,1-2,5-6,9-14H2;1H3,(H,2,3,4)/q+1;/p-1/t15-,16-;/s3
InChIKey DCZWVXNDLGWVAS-VAOSCPPKNA-M
SMILES S([O-])(=O)(=O)C.[N+]12(CCN(C3=NSC4C=CC=CC3=4)CC1)C[C@]1([H])CCCC[C@@]1([H])C2 |&1:21,27,r|

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  2934999090

(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate Chemical Properties,Uses,Production

Description

(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate is an impurity standard used in chemical and experimental research.

(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate Preparation Products And Raw materials

Raw materials

Preparation Products

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(3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate 4-(Benzo[d]isothiazol-3-yl)-1-((3aR,7aR)-hexahydro-1H-isoindol-2(3H)-yl)piperazin-1-iuM-1-sulfonate (3aR,7aR), octahydro-[2H-isoindole-2-spiro-1'-piperazinium], 4'-(1,2-benzisothiazol-3-yl), methanesulfonate (1:1) Lurasidone Impurity 34 (3aR,7aR)-4'-(benzo[d]isothiazol-3-yl) -ium methanesulfonate lurasidone-8 Lurasidone impurity 17/(3aR,7aR)-4-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1-piperaziniuM] Methanesulfonate 4-(1,2-Benzothiazol-3-yl)-1-[(3aR,7aR)-octahydro-2H-isoindol-2-yl]piperazin-1-ium-1-sulfonate Spiro[2H-isoindole-2,1'-piperazinium], 4'-(1,2-benzisothiazol-3-yl)octahydro-, (3aR,7aR)-, methanesulfonate (1:1) (3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-1'-ium methanesulfonate (3aR,7aR)-4'-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole- 2,1'-piperazin]-2-ium methanesulfonate Lurasidone Impurity 14 -(1,2-Benzisothiazol-3-yl)octahydro-spiro[2H-isoindole-2,1&rsquo (3aR,7aR)-4&rsquo -piperazinium]Methanesulfonate -ium methanesulfonate -piperazin]-1' 4-(1,2-Benzothiazol-3-yl)-1-[(3aR,7aR)-octahydro-2H-isoindol... C19H26N3S.CH3O3S (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperaziniuM] Methanesulfonate 186204-37-5 (3AR,7AR)-4'-(1,2-BENZISOTHIAZOL-3-YL)OCTAHYDROSPIRO[2H-ISO-INDOLE-2,1'-PIPERAZINIUM] METHAN SULFONATE (3aR,7aR)-4'-(1,2-benzisothiazol-3-yl)octahydro-Spiro[2H-isoindole-2,1'-piperazinium] methanesulfonate (1:1) Lurasidone Impurity 41 Mesylate (3aR,7aR)-4'-(Benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1'-piperazin]-2-ium methanesulfonate (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazinium] methanesulfonate (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydro-spiro[2H-isoindole-2,1'-piperazinium] methanesulfonate (1:1) Lurasidone Impurity 34 Mesylate 186204-37-5 C19H26N3SCH3O3S