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Ethambutol 2HCl

CAT: 0926-FE22851-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FE22851-01Size:50 g
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CAS Number
1070-11-7
Synonyms
(S, S) -2,2'- (1,2-Ethanediyldiimino) -bis-1-butanol dihydrochloride; Dexambutol; Ebutol
MDL Number
MFCD00216025
Smiles
CC[C@@H] (CO) NCCN[C@@H] (CC) CO.Cl.Cl
Molecular Formula
C10H26Cl2N2O2
Molecular Weight
277.23 g/mol
Controlled
No

Chemical Information

Ethambutol Hydrochloride

Ethambutol hydrochloride is an antibacterial prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of active tuberculosis (TB). (Active TB is also called TB disease.)

CAS Number1070-11-7
PubChem CID14051
IUPAC Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;dihydrochloride
Molecular FormulaC10H26Cl2N2O2
Molecular Weight277.23
Topological Polar Surface Area64.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity109
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl
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
InChIKey
AUAHHJJRFHRVPV-BZDVOYDHSA-N
Chemical Structure
2D Structure
2D structure of Ethambutol Hydrochloride
CAS: 1070-11-7
CID: 14051
Formula: C10H26Cl2N2O2
MW: 277.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.23
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass276.1371335
Monoisotopic Mass276.1371335
Topological Polar Surface Area64.5 Ų
Heavy Atom Count16
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 Count3
Compound Is CanonicalizedYes

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