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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25NO6S
Molecular Weight 371.449
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3aR,4S,7R,7aS)-Hexahydro-2-[[(1R,2R)-2-[(sulfooxy)methyl]cyclohexyl]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione

SMILES

OS(=O)(=O)OC[C@@H]1CCCC[C@H]1CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O

InChI

InChIKey=NEOOORXCXFXNGE-HGPDSQILSA-N
InChI=1S/C17H25NO6S/c19-16-14-10-5-6-11(7-10)15(14)17(20)18(16)8-12-3-1-2-4-13(12)9-24-25(21,22)23/h10-15H,1-9H2,(H,21,22,23)/t10-,11+,12-,13-,14+,15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[[(1R,2R)-2-[(sulfooxy)methyl]cyclohexyl]methyl]-, (3aR,4S,7R,7aS)-(3AR,4S,7R,7AS)-
Preferred Name English
(3aR,4S,7R,7aS)-Hexahydro-2-[[(1R,2R)-2-[(sulfooxy)methyl]cyclohexyl]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione
Systematic Name English
Code System Code Type Description
CAS
1841084-42-1
Created by admin on Wed Apr 02 12:57:29 GMT 2025 , Edited by admin on Wed Apr 02 12:57:29 GMT 2025
PRIMARY
FDA UNII
BPK6DNN4FW
Created by admin on Wed Apr 02 12:57:29 GMT 2025 , Edited by admin on Wed Apr 02 12:57:29 GMT 2025
PRIMARY
PUBCHEM
118571172
Created by admin on Wed Apr 02 12:57:29 GMT 2025 , Edited by admin on Wed Apr 02 12:57:29 GMT 2025
PRIMARY PUBCHEM