U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C13H24N4O3S.H2O
Molecular Weight 650.855
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIMOLOL

SMILES

O.CC(C)(C)NC[C@H](O)COC1=NSN=C1N2CCOCC2.CC(C)(C)NC[C@H](O)COC3=NSN=C3N4CCOCC4

InChI

InChIKey=TWBNMYSKRDRHAT-RCWTXCDDSA-N
InChI=1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1

HIDE SMILES / InChI

Molecular Formula C13H24N4O3S
Molecular Weight 316.42
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:08 UTC 2023
Edited
by admin
on Fri Dec 15 15:33:08 UTC 2023
Record UNII
817W3C6175
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIMOLOL
EMA EPAR   ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
TIMOLOL [USAN]
Common Name English
TIMOLOL [ORANGE BOOK]
Common Name English
Timolol hemihydrate [WHO-DD]
Common Name English
(S)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol hemihydrate
Common Name English
TIMOLOL [EMA EPAR]
Common Name English
TIMOLOL HEMIHYDRATE [VANDF]
Common Name English
BETIMOL
Brand Name English
TIMOLOL HEMIHYDRATE
VANDF   WHO-DD  
Common Name English
2-PROPANOL, 1-((1,1-DIMETHYLETHYL)AMINO)-3-((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, HEMIHYDRATE, (S)-
Common Name English
TIMOLOL [VANDF]
Common Name English
Classification Tree Code System Code
WHO-ATC C07BA06
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-ATC C07DA06
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-ATC S01ED51
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-VATC QS01ED51
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
NDF-RT N0000175556
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-ATC S01ED01
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-VATC QS01ED01
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 21.4
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-ATC C07AA06
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-VATC QC07AA06
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
LIVERTOX NBK548254
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
WHO-VATC QC07BA06
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
Code System Code Type Description
CAS
91524-16-2
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
DRUG BANK
DB00373
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
WIKIPEDIA
TIMOLOL
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
RXCUI
10600
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
ALTERNATIVE
FDA UNII
817W3C6175
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
USAN
W-130
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
SMS_ID
100000087971
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
LACTMED
Timolol
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL499
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
IUPHAR
565
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
CHEBI
60787
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
CHEBI
9599
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID70238611
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
RXCUI
221172
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
NCI_THESAURUS
C47757
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
EVMPD
SUB22330
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
DRUG CENTRAL
4061
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
DAILYMED
817W3C6175
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
MESH
D013999
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
PUBCHEM
62933
Created by admin on Fri Dec 15 15:33:08 UTC 2023 , Edited by admin on Fri Dec 15 15:33:08 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY