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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H35N
Molecular Weight 277.4879
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERHEXILINE, (S)-

SMILES

C(C(C1CCCCC1)C2CCCCC2)[C@@H]3CCCCN3

InChI

InChIKey=CYXKNKQEMFBLER-SFHVURJKSA-N
InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H35N
Molecular Weight 277.4879
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
1MA0NN6JQM
Record Status Validated (UNII)
Record Version