Text Search
Structure Search

hydrastinine hydrochloride

hydrastinine hydrochloride

CAS: 4884-68-8

Formula: C11H14ClNO3

SMILES: Cl[H].CN1CCC2=C(C=C3OCOC3=C2)C1O

IUPAC: 6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol hydrochloride

InChI: InChI=1/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H

Composition: C (54.22%), H (5.79%), Cl (14.55%), N (5.75%), O (19.70%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 243.066221
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DLNQCQJCIITVHC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.71
Topological Polar Surface Area 41.93
Polarizability 21.5
Ring Count 3
Rotatable Bond Count 0

Suppliers

No suppliers are currently stocking this item.