(3aR,4S,7R,7aS)-Hexahydro-2-[[(1R,2R)-2-[(sulfooxy)methyl]cyclohexyl]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione

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

Structure Search

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

Molecular Formula	C17H25NO6S
Molecular Weight	371.449
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:57:29 GMT 2025` Edited by `admin` on `Wed Apr 02 12:57:29 GMT 2025`
Record UNII	BPK6DNN4FW
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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PUBCHEM