Basic information
- CAS
1055-55-6- Standard SMILES
CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12.Cl- InChIKey
PBYJDHRFPFHVKZ-UHFFFAOYSA-N- Molecular formula
- C25H39ClN2O
- Average molar mass
- 419 g/mol
- Monoisotopic mass
- 418.2750916
Overview
See also: Bunamidine (has active moiety).
Names & identifiers
- Preferred name
- Bunamidine Hydrochloride
- IUPAC
- N,N-dibutyl-4-hexoxynaphthalene-1-carboximidamide;hydrochloride
- English name
- N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide hydrochloride
- Molecular formula
- C25H39ClN2O
- Molecular weight
- 419.04296
Names & synonyms
Bunamidine hydrochloride1055-55-6Bunamidine HClNSC-106571DTXSID7046837Y80LB0Q7CBN,N-Dibutyl-4-(hexyloxy)-1-naphthamidine monohydrochloride1-Naphthalenecarboximidamide, N,N-dibutyl-4-(hexyloxy)-, monohydrochlorideDTXCID5026837NSC106571Scolaban 400RefChem:57843
Show more names
BW62415BW 62415BW-62415N,N-Dibutyl-4-(hexyloxy)-1-naphthamidine hydrochloride
1-Naphthalenecarboximidamide, N,N-dibutyl-4-(hexyloxy)-, hydrochloride (1:1)213-890-2Bunamidine (hydrochloride)ScolabanBubanBunamidine, monohydrochlorideBunamidine hydrochloride [USAN]N,N-Dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide hydrochloride
Database identifiers
- CAS
1055-55-6- PubChem CID
- 13985
- DTXSID
DTXSID7046837- ChEMBL
CHEMBL2104240- UNII
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Animal DrugsFDA approved animal drugs -> Active ingredient
Physicochemical properties
- Melting point
- 214 · 214-214.8°
- storage temp.
- 4 °C, · 4°C, away from moisture and light
- solubility
- 33.33 mg/mL · DMSO : 33.33 mg/mL (79.54 mM; ultrasonic and warming and heat to 60°C)
- form
- Solid
- color
- White to light yellow
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 80 LB0Q7CB · Y80LB0Q7CB
- EPA Substance Registry System
- Bunamidine hydrochloride (1055-55-6)
- Toxicity
- 50 · LD50 (calculated as base) orally in mice: 540 mg/kg (Harfenist, 1971)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 1-Naphthalenecarboximidamide, N,N-dibutyl-4-(hexyloxy)-, monohydrochloride: Environment tier I assessment
Safety data
- Toxicity
- LD50 (calculated as base) orally in mice: 540 mg/kg (Harfenist, 1971)
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Applications
UsesAnthelmintic.
Suppliers6 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
武汉永璨生物科技有限公司+86-027-6552-2453 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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