BITOLTEROL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H31NO5
Molecular Weight	461.5494
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BITOLTEROL

Structure Search

SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(OC(=O)C3=CC=C(C)C=C3)C=C(C=C2)C(O)CNC(C)(C)C

InChI

InChIKey=FZGVEKPRDOIXJY-UHFFFAOYSA-N

InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C28H31NO5
Molecular Weight	461.5494
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:13 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:13 UTC 2023`
Record UNII	9KY0QXD6LI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BITOLTEROL

Official Name

English

BITOLTEROL [MI]

Common Name

English

4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-1,2-PHENYLENE BIS(4-METHYLBENZOATE)

Systematic Name

English

.ALPHA.((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL 3,4-DI-P-TOLUATE

Common Name

English

Bitolterol [WHO-DD]

Common Name

English

BENZOIC ACID, 4-METHYL-, 4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,2-PHENYLENE ESTER

Common Name

English

bitolterol [INN]

Common Name

English

BITOLTEROL [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

WHO-VATC

QR03AC17

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

LIVERTOX

112

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

WHO-ATC

R03AC17

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

NCI_THESAURUS

C319

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

Code System Code Type Description

MERCK INDEX

m2578

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

Merck Index

DRUG CENTRAL

384

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

NCI_THESAURUS

C65267

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

PUBCHEM

35330

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

EVMPD

SUB05860MIG

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID1022683

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

INN

3855

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

RXCUI

19499

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

RxNorm

CAS

30392-40-6

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL1201295

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

MESH

C011685

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

DRUG BANK

DB00901

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

FDA UNII

9KY0QXD6LI

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

WIKIPEDIA

BITOLTEROL

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

SMS_ID

100000086343

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

CHEBI

3133

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

LACTMED

Bitolterol

Created by admin on Fri Dec 15 16:30:13 UTC 2023 , Edited by admin on Fri Dec 15 16:30:13 UTC 2023

PRIMARY

Related Record Type Details


					4E53T3611U

BITOLTEROL MESYLATE

SALT/SOLVATE -> PARENT


					9SWU9P995C

BITOLTEROL, (R)-

ENANTIOMER -> RACEMATE


					CN0A76P5YE

BITOLTEROL, (S)-

ENANTIOMER -> RACEMATE


					VZX139UJO5

BETA-2 ADRENERGIC RECEPTOR

TARGET -> AGONIST

Interaction Type:

SHORT-ACTING

Amount:

Related Record Type Details


					1WH11068UO

COLTEROL

METABOLITE ACTIVE -> PRODRUG