Basic information
- CAS
129-74-8- Standard SMILES
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl- InChIKey
SDBHDSZKNVDKNU-UHFFFAOYSA-N- Molecular formula
- C28H35Cl3N2
- Average molar mass
- 505.9 g/mol
- Monoisotopic mass
- 504.186582
Overview
Buclizine dihydrochloride is a hydrochloride salt that is obtained by reaction of buclizine with 2 equivalents of hydrogen chloride. It has a role as a central nervous system depressant, a local anaesthetic, a histamine antagonist, a cholinergic antagonist and an antiemetic. It contains a buclizine(2+).
Names & identifiers
- Preferred name
- Buclizine Hydrochloride
- IUPAC
- 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
- English name
- Buclizine, dihydrochloride
- Molecular formula
- C28H35Cl3N2
- Molecular weight
- 505.95
Names & synonyms
Buclizine dihydrochloride129-74-8Buclizine hydrochlorideLongifeneBuclizine HClBuclinaSoftranBucladin-SBuclodinPostafenoAphilanAphilan R
Show more names
POSDELaphilanrVIBAZINEBUCLIZINE 2HCL1-(4-(tert-Butyl)
UCB 4445Vibazine hydrochlorideDTXSID5045091Histabutyzine dihydrochlorideUCB-444558FQD093NUA 7668NSC-25141
Database identifiers
- CAS
129-74-8、163837-35-2、163837-36-3- PubChem CID
- 65463
- DTXSID
DTXSID5045091- ChEMBL
CHEMBL2360580- ChEBI
CHEBI:61193- UNII
- 58FQD093NU、EOP5593FPH、V4OCE982YU
- EC Number
- 204-962-4
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 514
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 230 · 230-240°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
- form
- powder
- color
- white to beige
- Stability
- Hygroscopic
- InChI
- 1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H
- InChIKey
- SDBHDSZKNVDKNU-UHFFFAOYSA-N
- SMILES
- [Cl-].[Cl-].Clc1ccc(cc1)C(N3CCN(CC3)Cc4ccc(cc4)C(C)(C)C)c2ccccc2.[H+].[H+]
- CAS DataBase Reference
- 129 · 129-74-8
- FDA UNII
- 58 FQD093NU · 58FQD093NU
- EPA Substance Registry System
- 1 · Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, dihydrochloride (129-74-8)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
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 ClassificationNot Classified
Hazard information
Other Safety InformationIMAP assessments - Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, dihydrochloride: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.
Uses & manufacturing
General Manufacturing InformationPiperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[[4-(1,1-dimethylethyl)phenyl]methyl]-, hydrochloride (1:2): INACTIVE
Applications
UsesBUCLIZINE, DIHYDROCHLORIDE used as an antiemetic
General DescriptionBuclizine hydrochloride, l-(p-tertbutylbenzyl)-4-(p-chloro-α-phenylbenzyl)piperazinedihydrochloride (Bucladin-S), is a white to slightly yellowcrystalline powder that is insoluble in water. The highlylipid-soluble buclizine has CNS depressant, antiemetic, andantihistaminic properties. This drug has been discontinued inthe United States.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers84 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市健竹科技有限公司0755-89218110 13480856786 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
珠海安哲生物科技有限公司13169972583 · [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]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海孚一生物科技有限公司18096642264 18096642264 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
上海里程化工有限公司021-67100011 15867680329 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Additional notes
DefinitionChEBI: Buclizine dihydrochloride is a hydrochloride salt that is obtained by reaction of buclizine with 2 equivalents of hydrogen chloride. It has a role as a central nervous system depressant, a local anaesthetic, a histamine antagonist, a cholinergic antagonist and an antiemetic. It contains a buclizine(2+).
Related reactions
0 records
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Compound notes
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