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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2O
Molecular Weight 230.3055
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HO-PYR-T

SMILES

OC1=CC=CC2=C1C(CCN3CCCC3)=CN2

InChI

InChIKey=XASLPZWIPBCAPF-UHFFFAOYSA-N
InChI=1S/C14H18N2O/c17-13-5-3-4-12-14(13)11(10-15-12)6-9-16-7-1-2-8-16/h3-5,10,15,17H,1-2,6-9H2

HIDE SMILES / InChI

Molecular Formula C14H18N2O
Molecular Weight 230.3055
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

Substance Class Chemical
Record UNII
55L8SYC7EQ
Record Status Validated (UNII)
Record Version