(1AS,4S,6AR,7AS)-6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE

Details

Stereochemistry	MIXED
Molecular Formula	C18H25N3O3
Molecular Weight	331.4094
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1AS,4S,6AR,7AS)-6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE

Structure Search

SMILES

[H][C@@]12C[C@]1([H])N3C(=O)[C@@]([H])(NC(=N)[C@@]3([H])C2)C45CC6CC(O)(CC(O)(C6)C4)C5

InChI

InChIKey=IJVVVHQBNWXMNQ-FHKDIRIYSA-N

InChI=1S/C18H25N3O3/c19-14-12-2-10-1-11(10)21(12)15(22)13(20-14)16-3-9-4-17(23,6-16)8-18(24,5-9)7-16/h9-13,23-24H,1-8H2,(H2,19,20)/t9?,10-,11-,12+,13+,16?,17?,18?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(1AS,4S,6AR,7AS)-6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE

Systematic Name

English

SAXAGLIPTIN METABOLITE M13

Common Name

English

3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE, 6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-, (1AS,4S,6AR,7AS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

XJS56A8GYF

Created by admin on Sat Dec 16 15:17:45 GMT 2023 , Edited by admin on Sat Dec 16 15:17:45 GMT 2023

PRIMARY

PUBCHEM

118753505

Created by admin on Sat Dec 16 15:17:45 GMT 2023 , Edited by admin on Sat Dec 16 15:17:45 GMT 2023

PRIMARY

CAS

1429782-93-3

Created by admin on Sat Dec 16 15:17:45 GMT 2023 , Edited by admin on Sat Dec 16 15:17:45 GMT 2023

PRIMARY

PARENT (METABOLITE)


					8I7IO46IVQ

SAXAGLIPTIN ANHYDROUS

SUBSTANCE RECORD


					XJS56A8GYF

(1AS,4S,6AR,7AS)-6-AMINO-4-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-1,1A,4,6A,7,7A-HEXAHYDRO-3H-CYCLOPROPA(4,5)PYRROLO(1,2-A)PYRAZIN-3-ONE