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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H24N2O2.2C7H9N3O4S
Molecular Weight 666.768
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTOL

SMILES

CC[C@@H](CO)NCCN[C@@H](CC)CO.OS(=O)(=O)CNNC(=O)C1=CC=NC=C1.OS(=O)(=O)CNNC(=O)C2=CC=NC=C2

InChI

InChIKey=UZLDZDGQEWRBAL-BZDVOYDHSA-N
InChI=1S/C10H24N2O2.2C7H9N3O4S/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;2*11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h9-14H,3-8H2,1-2H3;2*1-4,9H,5H2,(H,10,11)(H,12,13,14)/t9-,10-;;/m0../s1

HIDE SMILES / InChI
Molecular Formula C7H9N3O4S
Molecular Weight 231.229
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C10H24N2O2
Molecular Weight 204.3098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/3582057 | https://www.google.com/patents/DE2036935C3 | https://www.ncbi.nlm.nih.gov/pubmed/24543417

Isobutol (trade name ISOETAM) is a salt of ethambutol and isoniazid methanesulfonate with tuberculostatic and bacteriostatic action. The purpose of this combination is to keep the strong anti-microbic activity of isoniazid in the manner where ethambutol would delay the appearance of resistance.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Binding Agent
1064
 0.75 nM [Ki]
Inhibitor
8297
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Not Provided
504
ISOETAM

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Clinical experience with isobutol: a new molecular combination of ethambutol-INH.
1981 Feb
Patents

Patents

DE2036935
1

Sample Use Guides

In Vivo Use Guide
Dose was 11 mg per kilogram body weight or one tablet per 10 kilograms body weight given in two divided doses, after meals.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:25:48 GMT 2023
Edited
by admin
on Sat Dec 16 01:25:48 GMT 2023
Record UNII
EFA3DCV6KG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTOL
WHO-DD  
Common Name English
4-PYRIDINECARBOXYLIC ACID, 2-(SULFOMETHYL)HYDRAZIDE, COMPD. WITH (2S,2'S)-2,2'-(1,2-ETHANEDIYLDIIMINO)BIS(1-BUTANOL) (2:1)
Systematic Name English
1-BUTANOL, 2,2'-(1,2-ETHANEDIYLDIIMINO)BIS-, (2S,2'S)-, COMPD. WITH 4-PYRIDINECARBOXYLIC ACID 2-(SULFOMETHYL)HYDRAZIDE (1:2)
Common Name English
(+)-2,2-(ETHYLENEDIIMINO)DIBUTANOL DIISONIAZIDE METHANESULFONATE
Common Name English
ETHAMBUTOL METHANIAZIDE COMPLEX
Common Name English
Isobutol [WHO-DD]
Common Name English
ETHAMBUTOL MIXTURE WITH ISONIAZID METHANESULFONATE [MI]
Common Name English
ISOETAM
Brand Name English
ISOETHAM
Brand Name English
Code System Code Type Description
MERCK INDEX
m5045
Created by admin on Sat Dec 16 01:25:48 GMT 2023 , Edited by admin on Sat Dec 16 01:25:48 GMT 2023
PRIMARY Merck Index
PUBCHEM
90478660
Created by admin on Sat Dec 16 01:25:48 GMT 2023 , Edited by admin on Sat Dec 16 01:25:48 GMT 2023
PRIMARY
FDA UNII
EFA3DCV6KG
Created by admin on Sat Dec 16 01:25:48 GMT 2023 , Edited by admin on Sat Dec 16 01:25:48 GMT 2023
PRIMARY
CAS
41663-50-7
Created by admin on Sat Dec 16 01:25:48 GMT 2023 , Edited by admin on Sat Dec 16 01:25:48 GMT 2023
PRIMARY
Related Record Type Details
Structure of METHANIAZIDE
PARENT -> SALT/SOLVATE
NIH
NCATS
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