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

Details

Stereochemistry	MIXED
Molecular Formula	C18H25N3O2
Molecular Weight	315.41
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1AS,4S,6AR,7AS)-6-AMINO-1,1A,4,6A,7,7A-HEXAHYDRO-4-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-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(CC(O)(C6)C4)C5

InChI

InChIKey=BSTUQELPQUGWCG-YGADWWLDSA-N

InChI=1S/C18H25N3O2/c19-15-13-3-11-2-12(11)21(13)16(22)14(20-15)17-4-9-1-10(5-17)7-18(23,6-9)8-17/h9-14,23H,1-8H2,(H2,19,20)/t9?,10?,11-,12-,13+,14+,17?,18?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(1AS,4S,6AR,7AS)-6-AMINO-1,1A,4,6A,7,7A-HEXAHYDRO-4-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-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-1,1A,4,6A,7,7A-HEXAHYDRO-4-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)-, (1AS,4S,6AR,7AS)-

Systematic Name

English

SAXAGLIPTIN METABOLITE D1

Common Name

English

Code System Code Type Description

PUBCHEM

117972167

Created by admin on Sat Dec 16 14:59:15 GMT 2023 , Edited by admin on Sat Dec 16 14:59:15 GMT 2023

PRIMARY

CAS

1350800-76-8

Created by admin on Sat Dec 16 14:59:15 GMT 2023 , Edited by admin on Sat Dec 16 14:59:15 GMT 2023

PRIMARY

FDA UNII

MM4YQY7YDG

Created by admin on Sat Dec 16 14:59:15 GMT 2023 , Edited by admin on Sat Dec 16 14:59:15 GMT 2023

PRIMARY

PARENT (METABOLITE)


					8I7IO46IVQ

SAXAGLIPTIN ANHYDROUS

SUBSTANCE RECORD


					MM4YQY7YDG

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