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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

SMILES

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

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

Molecular Formula C18H25N3O2
Molecular Weight 315.41
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 02:38:21 GMT 2025
Edited
by admin
on Wed Apr 02 02:38:21 GMT 2025
Record UNII
MM4YQY7YDG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAXAGLIPTIN METABOLITE D1
Preferred Name English
(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
Code System Code Type Description
PUBCHEM
117972167
Created by admin on Wed Apr 02 02:38:21 GMT 2025 , Edited by admin on Wed Apr 02 02:38:21 GMT 2025
PRIMARY
CAS
1350800-76-8
Created by admin on Wed Apr 02 02:38:21 GMT 2025 , Edited by admin on Wed Apr 02 02:38:21 GMT 2025
PRIMARY
FDA UNII
MM4YQY7YDG
Created by admin on Wed Apr 02 02:38:21 GMT 2025 , Edited by admin on Wed Apr 02 02:38:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA