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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30FN5O4
Molecular Weight 555.5994
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANUGLIPRON

SMILES

OC(=O)C1=CC=C2N=C(CN3CCC(CC3)C4=NC(OCC5=CC=C(C=C5F)C#N)=CC=C4)N(C[C@@H]6CCO6)C2=C1

InChI

InChIKey=HYBAKUMPISVZQP-DEOSSOPVSA-N
InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H30FN5O4
Molecular Weight 555.5994
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:06:27 GMT 2023
Edited
by admin
on Sat Dec 16 14:06:27 GMT 2023
Record UNII
DN9IUI24GP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DANUGLIPRON
USAN  
Official Name English
Danuglipron [WHO-DD]
Common Name English
PF-06882961
Code English
1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, 2-((4-(6-((4-CYANO-2-FLUOROPHENYL)METHOXY)-2-PYRIDINYL)-1-PIPERIDINYL)METHYL)-1-((2S)-2-OXETANYLMETHYL)-
Systematic Name English
DANUGLIPRON [USAN]
Common Name English
2-((4-(6-((4-CYANO-2-FLUOROBENZYL)OXY)PYRIDIN-2-YL)PIPERIDIN-1-YL)METHYL)-1-((2S)-OXETAN-2- YLMETHYL)-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID
Common Name English
danuglipron [INN]
Common Name English
Code System Code Type Description
FDA UNII
DN9IUI24GP
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
SMS_ID
300000028080
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
INN
11630
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
USAN
HI-76
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
CAS
2230198-02-2
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
NCI_THESAURUS
C177080
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
PUBCHEM
134611040
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID601101457
Created by admin on Sat Dec 16 14:06:27 GMT 2023 , Edited by admin on Sat Dec 16 14:06:27 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY