CAS 186204-31-9 | (3aR,4S,5R,7S,7aS)-rel-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione | CAS Number 186204-31-9

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186204-31-9 | (3aR,4S,5R,7S,7aS)-rel-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione

CAS No: 186204-31-9 Catalog No: AG01EQEA MDL No:

Product Description

Catalog Number:

AG01EQEA

Chemical Name:

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

CAS Number:

186204-31-9

Molecular Formula:

C28H36N4O3S

Molecular Weight:

508.6754

IUPAC Name:

(1S,2S,6R,7S,8R)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

InChI:

InChI=1S/C28H36N4O3S/c33-22-14-19-13-21(22)25-24(19)27(34)32(28(25)35)16-18-6-2-1-5-17(18)15-30-9-11-31(12-10-30)26-20-7-3-4-8-23(20)36-29-26/h3-4,7-8,17-19,21-22,24-25,33H,1-2,5-6,9-16H2/t17-,18-,19-,21+,22+,24-,25+/m0/s1

InChI Key:

JVTNTCYRWHASTQ-IYPUAYAFSA-N

SMILES:

O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@H]2C(=O)N(C1=O)C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2c1cccc2