(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

OC12CC3CC(O)(C1)CC(C3)(C2)[C@@H]4NC(=N)[C@H]5C[C@@H]6C[C@@H]6N5C4=O

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

SAXAGLIPTIN METABOLITE M13

Preferred Name

English

(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

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 Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025

PRIMARY

PUBCHEM

118753505

Created by admin on Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025

PRIMARY

CAS

1429782-93-3

Created by admin on Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025

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