Text Search
Structure Search

ethambutol dihydrochloride

ethambutol dihydrochloride

CAS: 1070-11-7

Formula: C10H26Cl2N2O2

SMILES: Cl.Cl.CC[C@@H](CO)NCCN[C@@H](CC)CO

IUPAC: (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride

InChI: InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1

Composition: C (43.33%), H (9.45%), Cl (25.57%), N (10.10%), O (11.54%)

Molar Mass: 277.23

Atom Count: 42

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 276.1371335
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey AUAHHJJRFHRVPV-BZDVOYDHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.89
Topological Polar Surface Area 64.52
Polarizability 23.44
Ring Count 0
Rotatable Bond Count 9

Suppliers

No suppliers are currently stocking this item.