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Ethambutol

CAT: 0543-E009-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0543-E009-100GSize:100 g
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CAS Number
74-55-5
Applications
Microbiology.
Purity
(On Dried Basis) : 98.5-101.0%
Molecular Formula
C10H24N2O2
Molecular Weight
204.31
Shipping Conditions
Ambient
Storage Conditions
2-8°C, Hygroscopic

Chemical Information

Ethambutol

Ethambutol is an ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. It has a role as an antitubercular agent, a xenobiotic and an environmental contaminant. It is a member of ethanolamines and an ethylenediamine derivative.

CAS Number74-55-5
PubChem CID14052
IUPAC Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
Molecular FormulaC10H24N2O2
Molecular Weight204.31
XLogP-0.1
Topological Polar Surface Area64.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity109
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO
InChI
InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey
AEUTYOVWOVBAKS-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of Ethambutol
CAS: 74-55-5
CID: 14052
Formula: C10H24N2O2
MW: 204.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.31
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass204.183778013
Monoisotopic Mass204.183778013
Topological Polar Surface Area64.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes