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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NO2
Molecular Weight 127.1412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOGUVACINE

SMILES

OC(=O)C1=CCNCC1

InChI

InChIKey=KRVDMABBKYMBHG-UHFFFAOYSA-N
InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H9NO2
Molecular Weight 127.1412
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
YTF580771Y
Record Status Validated (UNII)
Record Version