BAMBUTEROL HYDROCHLORIDE, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H29N3O5.ClH
Molecular Weight	403.901
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BAMBUTEROL HYDROCHLORIDE, (R)-

Structure Search

SMILES

Cl.CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)[C@@H](O)CNC(C)(C)C

InChI

InChIKey=LBARATORRVNNQM-RSAXXLAASA-N

InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H29N3O5
Molecular Weight	367.44
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://finance.ifeng.com/usstock/realtime/20100430/2129767.shtml | https://www.ncbi.nlm.nih.gov/pubmed/27273913

(R)-Bambuterol is a selective β2-adrenoceptor agonist. R-Bambuterol Hydrochloride Tablets ("Laevo-Bambuterol") is categorized as a Class 1 new drug. Its preclinical studies show that it is more effective and have lower toxicity than Bambuterol, a popular asthma drug currenTLy on the market. Laevo-Bambuterol was approved by the China Food and Drug Administration for the treatment of asthma.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Beta-2 adrenergic receptor 209 Target ID: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27273913 \| http://adisinsight.springer.com/drugs/800031995	Agonist 2752
Butyrylcholinesterase 45 Target ID: CHEMBL1914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18582854 \| https://www.ncbi.nlm.nih.gov/pubmed/16865342	Inhibitor 8504
Acetylcholinesterase 209 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18582854	Inhibitor 8504	0.56 mM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Asthma 244 Sources: http://finance.ifeng.com/usstock/realtime/20100430/2129767.shtml	Primary		Phase I 438	Unknown Approved Use Unknown
Hypercholesterolemia 51 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26137575	Primary		Phase I 438	Unknown Approved Use Unknown

C_max

Value	Dose	Analyte	Population
149.2 ng/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26137575/	2.5 mg single, oral dose: 2.5 mg route of administration: Oral experiment type: SINGLE co-administered:	(R)-BAMBUTEROL plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
419.4 ng/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26137575/	5 mg single, oral dose: 5 mg route of administration: Oral experiment type: SINGLE co-administered:	(R)-BAMBUTEROL plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1136 ng/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26137575/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	(R)-BAMBUTEROL plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P003OF6	https://www.1pchem.com/search?query=1P003OF6
A2B Chem	AB70818	http://a2bchem.com/prod/AB70818
AK Scientific	G311	https://aksci.com/item_detail.php?cat=G311
AK Scientific	H726	https://aksci.com/item_detail.php?cat=H726
Angene	AGN-PC-07C3B7	http://www.angenechemical.com/productshow/AGN-PC-07C3B7.html
ApexBio Technology	B4719	https://www.apexbt.com/catalogsearch/result/?q=B4719
AstaTech	T71354	http://astatechinc.com/CPSResult.php?CRNO=T71354
BLD Pharm	BD115034	http://www.bldpharm.com/search/Search.html?keyword=BD115034
BOC Sciences	81732-46-9	http://www.bocsci.com/description.asp?cas=81732-46-9
BOC Sciences	81732-65-2	http://www.bocsci.com/description.asp?cas=81732-65-2
Cayman Chemical	17887	http://www.caymanchem.com/app/template/Product.vm/catalog/17887
Chem Scene	CS-4335	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-4335
ChemShuttle	141779	https://www.chemshuttle.com/catalogsearch/result/?q=141779
Combi-Blocks	QB-9665	http://www.combi-blocks.com/cgi-bin/find.cgi?QB-9665
eMolecules	2728951	https://orderbb.emolecules.com/search/#?query=2728951
eMolecules	901454	https://orderbb.emolecules.com/search/#?query=901454
eNovation Chemicals	D409710	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D409710&searchbtn.x=0&searchbtn.y=0
Hairui	HR131291	http://www.hairuichem.com/en/product/search.do?q=HR131291
Hairui	HR137448	http://www.hairuichem.com/en/product/search.do?q=HR137448
KeyOrganics	KS-1333	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=KS-1333
Lab Network	LN01275749	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01275749
Lab Network	LN01343151	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01343151
mcule	MCULE-5915665286	https://mcule.com/MCULE-5915665286/
mcule	MCULE-6324373983	https://mcule.com/MCULE-6324373983/
MedChem Express	HY-17501A	https://www.medchemexpress.com/search.html?q=HY-17501A&ft=&fa=&fp=
Molnova	M16044	https://www.molnova.com/en/serch-list.html?keywords=M16044
Molnova	M16045	https://www.molnova.com/en/serch-list.html?keywords=M16045
MolPort	MolPort-003-666-597	https://www.molport.com/shop/molecule-link/MolPort-003-666-597
MuseChem	R054223	https://www.musechem.com/product/R054223.html
PI Chemicals	PI-27934	http://www.pipharm.com/catalog_products/PI-27934.html
Princeton BioMolecular Research	OSSM_039465	http://www.princetonbio.com/order_online?common_id=OSSM_039465
Selleck Chemicals	S4277	http://www.selleckchem.com/search.html?searchDTO.searchParam=S4277
ShangHai Biochempartner	BCP09503	http://www.biochempartner.com/search_BCP09503
TargetMol	T1446	https://www.targetmol.com/search?keyword=T1446
Tetrahedron	TS66705	http://www.thsci.com/search.do?q=TS66705
Tetrahedron	TS81210	http://www.thsci.com/search.do?q=TS81210
Toronto Research Chemicals	B117500	https://www.trc-canada.com/product-detail/?CatNum=B117500
Vesino Industrial Co Ltd	VA10370	http://www.vsnchem.com/search.do?a=s&psize=20&q=VA10370
Vitas-M Laboratory	STK643808	http://www.vitasmlab.biz/search/STK643808
W&J PharmaChem	50C353601	http://wjpharmachem.com/new/searcht.php?keyword=50C353601

PubMed

Title	Date	PubMed
In vivo metabolism study of (R)-bambuterol in humans using ultra high performance liquid chromatography with tandem mass spectrometry.	2016-08	27273913
Resolution of Rac-Bambuterol via Diastereoisomeric Salt Formation with o-Chloromandelic Acid and Differences in the Enantiomers' Pharmacodynamical Effects in Guinea Pigs and Beagles.	2016-04	26969816
Comparative pharmacokinetics and bile transformation of R-enantiomer and racemic bambuterol after single-dose intravenous, oral administration in rats and beagle dogs.	2015-12	25281237
The Lipid-lowering Effects of R-bambuterol in Healthy Chinese Volunteers: A Randomized Phase I Clinical Study.	2015-04	26137575
A sensitive LC-MS/MS method for simultaneous determination of R-bambuterol and its active metabolite R-terbutaline in human plasma and urine with application to a clinical pharmacokinetic study.	2014-07	24357101
Highly enantioselective synthesis, crystal structure, and circular dichroism spectroscopy of (R)-bambuterol hydrochloride.	2008-07	18381733

Patents

Sample Use Guides

In Vivo Use Guide

Single dose (2.5 mg, 5 mg or 10 mg) or multiple doses (5 mg) for 7 days

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:16:32 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:32 GMT 2025`
Record UNII	DI0K4M85XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAMBUTEROL HYDROCHLORIDE, (-)-

Preferred Name

English

BAMBUTEROL HYDROCHLORIDE, (R)-

Common Name

English

CARBAMIC ACID, N,N-DIMETHYL-, 5-((1R)-2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-PHENYLENE ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

45266848

Created by admin on Mon Mar 31 22:16:32 GMT 2025 , Edited by admin on Mon Mar 31 22:16:32 GMT 2025

PRIMARY

FDA UNII

DI0K4M85XF

Created by admin on Mon Mar 31 22:16:32 GMT 2025 , Edited by admin on Mon Mar 31 22:16:32 GMT 2025

PRIMARY

CAS

662138-63-8

Created by admin on Mon Mar 31 22:16:32 GMT 2025 , Edited by admin on Mon Mar 31 22:16:32 GMT 2025

PRIMARY

Related Record Type Details


					786Q84QZ3F

BAMBUTEROL HYDROCHLORIDE

RACEMATE -> ENANTIOMER


					U44CBZ5I3E

BAMBUTEROL, (R)-

PARENT -> SALT/SOLVATE

Details

SMILES

InChI

DescriptionSources: http://finance.ifeng.com/usstock/realtime/20100430/2129767.shtml | https://www.ncbi.nlm.nih.gov/pubmed/27273913

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Cmax

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: http://finance.ifeng.com/usstock/realtime/20100430/2129767.shtml | https://www.ncbi.nlm.nih.gov/pubmed/27273913

C_max