CAS 1132654-54-6 | (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione | CAS Number 1132654-54-6

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1132654-54-6 | (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

CAS No: 1132654-54-6 Catalog No: AG01EQ7A MDL No:

Product Description

Catalog Number:

AG01EQ7A

Chemical Name:

(3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

CAS Number:

1132654-54-6

Molecular Formula:

C28H28D8N4O2S

Molecular Weight:

500.7253

IUPAC Name:

(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

InChI:

InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1/i11D2,12D2,13D2,14D2

InChI Key:

PQXKDMSYBGKCJA-KBFPQGGWSA-N

SMILES:

O=C1N(C[C@@H]2CCCC[C@H]2CN2C([2H])([2H])C([2H])([2H])N(C(C2([2H])[2H])([2H])[2H])c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1