U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33N3O4
Molecular Weight 415.5258
Optical Activity ( + )
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOC-SAXAGLIPTIN

SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C34CC5CC(CC(O)(C5)C3)C4

InChI

InChIKey=DZEAFYQJPRVNIQ-FPXKHEBGSA-N
InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)/t13?,14?,15-,16+,17+,18-,22?,23?/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H33N3O4
Molecular Weight 415.5258
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 11:53:38 GMT 2025
Edited
by admin
on Wed Apr 02 11:53:38 GMT 2025
Record UNII
6C6HNK5KEF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOC-SAXAGLIPTIN
Preferred Name English
Code System Code Type Description
FDA UNII
6C6HNK5KEF
Created by admin on Wed Apr 02 11:53:38 GMT 2025 , Edited by admin on Wed Apr 02 11:53:38 GMT 2025
PRIMARY
PUBCHEM
51358360
Created by admin on Wed Apr 02 11:53:38 GMT 2025 , Edited by admin on Wed Apr 02 11:53:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID10694893
Created by admin on Wed Apr 02 11:53:38 GMT 2025 , Edited by admin on Wed Apr 02 11:53:38 GMT 2025
PRIMARY
CAS
709031-43-6
Created by admin on Wed Apr 02 11:53:38 GMT 2025 , Edited by admin on Wed Apr 02 11:53:38 GMT 2025
PRIMARY
Related Record Type Details
INGREDIENT -> INTERMEDIATE