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Ethambutol

Athanor · official

C10H24N2O2 · 204.31 g/mol

IUPAC name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

Also called Myambutol, tuberculosis

Drugs
Open in Athanor
The structure of Ethambutol
Drawn from its SMILES with RDKit
Harmful or irritantHealth hazardWarningHarmful if swallowed · May causes damage to organs through prolonged or repeated exposure

Names and identifiers

IUPAC name
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
Synonyms
Myambutol, tuberculosis, Ethambutolum
+ 37 more

(+)-ethambutol, Aethambutolum, Diambutol, D-Ethambutol, (+)-S,S-Ethambutol, (S,S)-ethambutol, Etambutolo, S,S-Ethambutol, (+)-2,2'-(Ethylenediimino)di-1-butanol, (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol, CHEBI:4877, (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine, 8G167061QZ, D-2,2'-(Ethylenediimino)di-1-butanol, D-2,2'-(Ethylenediimino)bis(1-butanol), DTXSID8023006, 1-Butanol, 2,2'-(ethylenediimino)di-, (+)-, D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine, (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-, (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-, (2S)-2-((2-(((2S)-1-hydroxybutan-2-yl)amino)ethyl)amino)butan-1-ol, (2S)-2-(2-(((2S)-1-hydroxybutan-2-yl)amino)ethylamino)butan-1-ol, EMB Hefa, Llorente, Etambutol, RefChem:591358, DTXCID703006, J04AK02, 200-810-6, Etambutol, (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol), Etambutolo [DCIT], Etambutol [INN-Spanish], Ethambutolum [INN-Latin], EMB, Spectrum4_000545

Molecular formula
C10H24N2O2
Empirical formula
C5H12NO
Molecular weight
204.31 g/mol
Exact mass
204.18378
CAS number
74-55-5
PubChem CID
14052
Canonical SMILES
CCC(CO)NCCNC(CC)CO
Isomeric 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
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Appearance
WHITE, CRYSTALLINE POWDER[1]
Odor
ESSENTIALLY ODORLESS[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
14
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
9
TPSA (Ų)
64.5
Formal charge
0
XLogP3
-0.1 PubChem
Complexity
109 PubChem
Stereocenters
2 definedCIP: C3: S · C10: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C58.79%
  • H11.84%
  • N13.71%
  • O15.66%

Isotope pattern

100%204.18412%205.1871.1%206.189

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-0.29 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.33 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.21 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 204.31
  • log P ≤ 5 (Crippen): -0.29
  • H-bond donors ≤ 5: 4
  • H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

From European Chemicals Agency (ECHA). Source [2].

  • Harmful or irritant
  • Health hazard
  • H302Harmful if swallowed
  • H373May causes damage to organs through prolonged or repeated exposure

Precautionary statements: P260, P264, P270, P301+P317, P319, P330, P501

Storage

  • Ethambutol hydrochloride tablets should be protected from light, moisture, and excessive heat and should be stored in well-closed containers at 15-30 °C.[1]
  • Store below 40 °C (104 °F), preferably between 15 and 30 °C (50 and 86 °F), unless otherwise specified by manufacturer. Store in a well-closed container.[1]

Safety data sheets on the supplier’s page: ChemoSapiens, MedChemexpress MCE, Ambinter.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.