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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H33N3O3
Molecular Weight 435.5585
Optical Activity NONE
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUNOBINOP

SMILES

[H][C@@]1(C[C@H]2CCC[C@@H](C2)C1)N3[C@H]4CCC[C@@H]3C[C@@H](C4)N5C(=O)C(=NC6=CC=CC=C56)C(O)=O

InChI

InChIKey=COTYYZPYDJKKIS-UHFFFAOYSA-N
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)

HIDE SMILES / InChI

Molecular Formula C26H33N3O3
Molecular Weight 435.5585
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:24 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:24 GMT 2023
Record UNII
I1X86U5474
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUNOBINOP
INN   USAN  
Official Name English
2-QUINOXALINECARBOXYLIC ACID, 4-((3-ENDO)-9-(3-EXO)-BICYCLO(3.3.1)NON-3-YL-9-AZABICYCLO(3.3.1)NON-3-YL)-3,4-DIHYDRO-3-OXO-
Systematic Name English
RSC-117957
Code English
sunobinop [INN]
Common Name English
RSC117957
Code English
SUNOBINOP [USAN]
Common Name English
IMB-115
Code English
V-117957
Common Name English
V117957
Code English
IMB115
Code English
4-((1R,1'R,3R,3'R,5S,5'S)-9'-AZA(3,9'- BI(BICYCLO(3.3.1)NONAN))-3'-YL)-3-OXO-3,4- DIHYDROQUINOXALINE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
USAN
KL-26
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
INN
11537
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY INN
CAS
1126793-40-5
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
PUBCHEM
66819082
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
FDA UNII
I1X86U5474
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
SMS_ID
300000032274
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
NCI_THESAURUS
C179123
Created by admin on Sat Dec 16 01:46:24 GMT 2023 , Edited by admin on Sat Dec 16 01:46:24 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY