Basic information
- CAS
90729-42-3- Standard SMILES
CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
XGHOVGYJHWQGCC-UHFFFAOYSA-N- Molecular formula
- C32H37NO4
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.27225866
Overview
Carebastine is a diarylmethane.
Names & identifiers
- Preferred name
- Carebastine
- IUPAC
- 2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
- English name
- Carebastine
- Molecular formula
- C32H37NO4
- Molecular weight
- 499.64
Names & synonyms
Carebastine90729-42-3CarebastinaCarebastinumDTXSID6023824675DLN707DOBenzeneacetic acid, 4-(4-(4-(diphenylmethoxy)-1-piperidinyl)-1-oxobutyl)-alpha,alpha-dimethyl-RefChem:123715DTXCID80160737684-985-8Carebastine [INN]2-(4-(4-(4-(Benzhydryloxy)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoic acid
Show more names
Inhibitor,Carebastine,Histamine Receptor,inhibit4-[4-[4-(DiphenylMethoxy)-1-piperidinyl]-1-oxobutyl]-α,α-diMethylbenzeneacetic Acid4-[4-[4-(Diphenylmethoxy)piperidin-1-yl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid4-[4-[4-(Diphenylmethoxy)-1-piperidinyl]-1-oxobutyl]-a,a-dimethylbenzeneacetic Acid4-[4-[4-(Diphenylmethoxy)-1-piperidinyl]-1-oxobutyl]-α,a-dimethylbenzeneacetic AcidBenzeneacetic acid, 4-[4-[4-(diphenylmethoxy)-1-piperidinyl]-1-oxobutyl]-α,α-dimethyl-CarebastineQ: What is Carebastine Q: What is the CAS Number of Carebastine Q: What is the storage condition of Carebastine Q: What are the applications of Carebastine
2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acidC32H37NO4UNII-75DLN707DOMFCD008656652-(4-(4-(4-Benzhydryloxypiperidino)butyryl)phenyl)-2-methylpropionsaeure2-(4-(4-(4-(Benzhydryloxy)piperidin-1-yl)-butanoyl)phenyl)-2-methylpropanoic acidCHEBI:192413AKOS016010168
Database identifiers
- CAS
90729-42-3- PubChem CID
- 65820
- DTXSID
DTXSID60238246- ChEMBL
CHEMBL67654- ChEBI
CHEBI:192413- UNII
- 75DLN707DO
- EC Number
- 684-985-8
- Nikkaji
- J22.760I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Melting point
- 178 · 178-180°C
- Boiling point
- 657.9 · 657.9±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 2 mg/ml; Ethanol: 2 mg/ml
- form
- A crystalline solid
- pka
- 4.16 · 4.16±0.10(Predicted)
- color
- White to light yellow
- CAS DataBase Reference
- 90729 · 90729-42-3
- FDA UNII
- 75 DLN707DO · 75DLN707DO
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H413
- Precautionary statements
- 264 · P264-P270-P273-P301+P310+P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H413
- Precautionary statements
- P264-P270-P273-P301+P310+P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Drugs that are used to treat asthma.
Applications
UsesThe active carboxylic acid metabolite of Ebastine.
Suppliers43 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
陕西鼎创美捷化工有限公司15209235325; 15209235325 · [email protected]
Aladdin Scientific[email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
BOC Sciences[email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海智乾生物科技有限公司[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
ChemeGen 中国18818260767 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
Additional notes
DefinitionChEBI: Carebastine is a diarylmethane.
Related reactions
1 records
Compound notes
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