TIMOLOL ANHYDROUS

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H24N4O3S
Molecular Weight	316.42
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIMOLOL ANHYDROUS

Structure Search

SMILES

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

InChI

InChIKey=BLJRIMJGRPQVNF-JTQLQIEISA-N

InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:40 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:40 UTC 2023`
Record UNII	5JKY92S7BR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIMOLOL ANHYDROUS

Common Name

English

2-PROPANOL, 1-((1,1-DIMETHYLETHYL)AMINO)-3-((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, (S)-

Systematic Name

English

timolol [INN]

Common Name

English

TIMOLOL [HSDB]

Common Name

English

Timolol [WHO-DD]

Common Name

English

TIMOLOL [MI]

Common Name

English

2-PROPANOL, 1-((1,1-DIMETHYLETHYL)AMINO)-3-((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, (2S)-

Systematic Name

English

(S)-1-(TERT-BUTYLAMINO)-3-((4-MORPHOLINO-1,2,5-THIADIAZOL-3-YL)OXY)-2-PROPANOL

Systematic Name

English

Classification Tree Code System Code

NDF-RT

N0000000161

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

WHO-ATC

C07AA06

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

NDF-RT

N0000175556

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

WHO-ATC

S01ED01

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

NCI_THESAURUS

C29576

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

Code System Code Type Description

FDA UNII

5JKY92S7BR

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID4023674

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

INN

3415

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

ECHA (EC/EINECS)

248-032-6

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

MERCK INDEX

m10871

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C90802

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

CAS

26839-75-8

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

RXCUI

1546004

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

RxNorm

SMS_ID

100000089192

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

PUBCHEM

33624

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

DAILYMED

5JKY92S7BR

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

DRUG BANK

DB00373

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

HSDB

6533

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

EVMPD

SUB11069MIG

Created by admin on Fri Dec 15 16:30:40 UTC 2023 , Edited by admin on Fri Dec 15 16:30:40 UTC 2023

PRIMARY

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CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE


					817W3C6175

TIMOLOL

SOLVATE->ANHYDROUS

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					817W3C6175

TIMOLOL

SALT/SOLVATE -> PARENT

Amount:


					4A4MK4KIB5

BETA-1 ADRENERGIC RECEPTOR

TARGET -> AGONIST

Comments:

NON-SELECTIVE


					P8Y54F701R

TIMOLOL MALEATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					G8MJJ5EGU5

N-(4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-1,2,5-THIADIAZOL-3-YL)-N-(2-HYDROXYETHYL)GLYCINE, (S)-

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					H3Z152215Z

1-(1,1-DIMETHYLETHYLAMINO-3-((4-(2-HYDROXYETHYLAMINO)-1,2,5-THIADIAZOL-3-YL)OXY))-2-PROPANOL

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:

Related Record Type Details


					5JKY92S7BR

TIMOLOL ANHYDROUS

ACTIVE MOIETY

Amount: