(2S,4AS,5AS)-6A-HYDROXY-2-(3-HYDROXYADAMANTAN-1-YL)HEXAHYDROCYCLOPROPA(4,5)PYRROLO(1,2-A)IMIDAZOL-3(2H)-ONE

Details

Stereochemistry	MIXED
Molecular Formula	C17H24N2O3
Molecular Weight	304.3841
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,4AS,5AS)-6A-HYDROXY-2-(3-HYDROXYADAMANTAN-1-YL)HEXAHYDROCYCLOPROPA(4,5)PYRROLO(1,2-A)IMIDAZOL-3(2H)-ONE

Structure Search

SMILES

OC12C[C@@H]3C[C@@H]3N1C(=O)[C@@H](N2)C45CC6CC(CC(O)(C6)C4)C5

InChI

InChIKey=FRYSGXJFJVWGRL-GTFNWJGBSA-N

InChI=1S/C17H24N2O3/c20-14-13(18-17(22)7-11-2-12(11)19(14)17)15-3-9-1-10(4-15)6-16(21,5-9)8-15/h9-13,18,21-22H,1-8H2/t9?,10?,11-,12-,13+,15?,16?,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H24N2O3
Molecular Weight	304.3841
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:38:36 GMT 2025` Edited by `admin` on `Wed Apr 02 10:38:36 GMT 2025`
Record UNII	NHA7BVE9GU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAXAGLIPTIN METABOLITE M4

Preferred Name

English

(2S,4AS,5AS)-6A-HYDROXY-2-(3-HYDROXYADAMANTAN-1-YL)HEXAHYDROCYCLOPROPA(4,5)PYRROLO(1,2-A)IMIDAZOL-3(2H)-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

NHA7BVE9GU

Created by admin on Wed Apr 02 10:38:36 GMT 2025 , Edited by admin on Wed Apr 02 10:38:36 GMT 2025

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PUBCHEM

156613756

Created by admin on Wed Apr 02 10:38:36 GMT 2025 , Edited by admin on Wed Apr 02 10:38:36 GMT 2025

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