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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31N
Molecular Weight 285.4668
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROABIETYLAMINE

SMILES

[H][C@@]12CCC3=CC(=CC=C3[C@@]1(C)CCC[C@@]2(C)CN)C(C)C

InChI

InChIKey=JVVXZOOGOGPDRZ-SLFFLAALSA-N
InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H31N
Molecular Weight 285.4668
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.9 µM [Ki]
9.5 µM [IC50]
9.5 µM [IC50]
2.9 µM [Ki]
Substance Class Chemical
Record UNII
33289O147P
Record Status Validated (UNII)
Record Version