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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17N3O2
Molecular Weight 235.2823
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASP-4000 FREE BASE

SMILES

O[C@@H]1C[C@@H]2C[C@H]1N[C@@H]2C(=O)N3CCC[C@H]3C#N

InChI

InChIKey=FVTNKOGXEQXHHE-DAWVFNFOSA-N
InChI=1S/C12H17N3O2/c13-6-8-2-1-3-15(8)12(17)11-7-4-9(14-11)10(16)5-7/h7-11,14,16H,1-5H2/t7-,8-,9+,10+,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H17N3O2
Molecular Weight 235.2823
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:49 GMT 2023
Record UNII
IG78JSZ6MF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASP-4000 FREE BASE
Common Name English
2-PYRROLIDINECARBONITRILE, 1-(((1R,3S,4S,6R)-6-HYDROXY-2-AZABICYCLO(2.2.1)HEPT-3-YL)CARBONYL)-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
851510-67-3
Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023
PRIMARY
FDA UNII
IG78JSZ6MF
Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023
PRIMARY
PUBCHEM
24905399
Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY