Summary

IMPPAT Phytochemical identifier: IMPHY017899

Phytochemical name: Phenyramidol hydrochloride

Synonymous chemical names:
verbanol

External chemical identifiers:
CID:9469, ChEMBL:CHEMBL1996759, FDASRS:M574V6XQH7, SureChEMBL:SCHEMBL121004

---

Chemical structure information

SMILES:
OC(c1ccccc1)CNc1ccccn1.Cl

InChI:
InChI=1S/C13H14N2O.ClH/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13;/h1-9,12,16H,10H2,(H,14,15);1H

InChIKey:
HYYDHUILGLWOOP-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))))))CNcccccn6.Cl

Functional groups:
CO, Cl, cNC, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCNc2ccccn2)cc1

Scaffold Graph/Node level:
C1CCC(CCNC2CCCCN2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Aminopyridines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.885

---

Chemical structure download