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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO3
Molecular Weight 271.3111
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HIGENAMINE, (-)-

SMILES

OC1=CC=C(C[C@@H]2NCCC3=C2C=C(O)C(O)=C3)C=C1

InChI

InChIKey=WZRCQWQRFZITDX-AWEZNQCLSA-N
InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17NO3
Molecular Weight 271.3111
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P94O9O6QM5
Record Status Validated (UNII)
Record Version