U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C19H25NO3.ClH
Molecular Weight 351.868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25D-NBOME HYDROCHLORIDE

SMILES

Cl.COC1=CC=CC=C1CNCCC2=CC(OC)=C(C)C=C2OC

InChI

InChIKey=KJRUHRVUUSGHFU-UHFFFAOYSA-N
InChI=1S/C19H25NO3.ClH/c1-14-11-19(23-4)15(12-18(14)22-3)9-10-20-13-16-7-5-6-8-17(16)21-2;/h5-8,11-12,20H,9-10,13H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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

Molecular Formula C19H25NO3
Molecular Weight 315.4067
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
1.37 nM [EC50]
1.53 nM [EC50]

PubMed

Substance Class Chemical
Record UNII
SZ5EGG4C4Q
Record Status Validated (UNII)
Record Version