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Details

Stereochemistry MIXED
Molecular Formula C18H25N3O5S
Molecular Weight 395.473
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3-(SULFOOXY)TRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, (1S,3S,5S)-

SMILES

[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C34CC5CC(CC(C5)(C3)OS(O)(=O)=O)C4

InChI

InChIKey=BNWBSJYZDBLPKL-SGTAVMJGSA-N
InChI=1S/C18H25N3O5S/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(6-10,9-17)26-27(23,24)25/h10-15H,1-7,9,20H2,(H,23,24,25)/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3-(SULFOOXY)TRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, (1S,3S,5S)-
Systematic Name English
SAXAGLIPTIN METABOLITE M45
Common Name English
Code System Code Type Description
FDA UNII
56L4K94ELW
Created by admin on Sat Dec 16 14:53:52 GMT 2023 , Edited by admin on Sat Dec 16 14:53:52 GMT 2023
PRIMARY
PUBCHEM
118753512
Created by admin on Sat Dec 16 14:53:52 GMT 2023 , Edited by admin on Sat Dec 16 14:53:52 GMT 2023
PRIMARY
CAS
1429782-94-4
Created by admin on Sat Dec 16 14:53:52 GMT 2023 , Edited by admin on Sat Dec 16 14:53:52 GMT 2023
PRIMARY