Basic information
- CAS
5585-73-9- Standard SMILES
CC(CC1c2ccccc2CCc2ccccc21)C[NH+](C)C.[Cl-]- InChIKey
MCWAFEJHLHEFOD-UHFFFAOYSA-N- Molecular formula
- C21H28ClN
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1910276
Overview
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Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, HCl, (+,-)-
- IUPAC
- dimethyl-[2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]azanium chloride
- English name
- Butriptyline hydrochloride
- Molecular formula
- C21H27N.ClH
- Molecular weight
- 329.91
Names & synonyms
AY 62014EINECS 226-983-8NSC 169184UNII-LIJ2H8658WButriptylinehydrochloride(+-)-10,11-Dihydro-N,N,beta-trimethyl-5H-dibenzo(a,d)cycloheptene-5-propylamine hydrochloride5H-Dibenzo(a,d)cycloheptene-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, HCl, (+,-)-(1)-(10,11-Dihydro-beta-methyl-5H-dibenzo(a,d)cycloheptene-5-propyl)di(methyl)ammonium chloride5H-Dibenzo(a,d)cycloheptene-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, hydrochloride, (+-)-EvadyneAY-62014ButriptylineHCl
Show more names
Butriptylene hydrochlorideButriptyline hydrochloride(+/-)-10,11-Dihydro-N,N,beta-trimethyl-5H-dibenzo[a,d]cycloheptene-5-propanamine hydrochloride(±)-[10,11-dihydro-beta-methyl-5H-dibenzo[a,d]cycloheptene-5-propyl]di(methyl)ammonium chloride5H-Dibenzo[A,D]cycloheptene-5-propylamine, 10,11-dihydro-N,N,-.beta.-trimethyl-,hydrochloride, DL-(2)(.+-.)-10,11-Dihydro-N,N,.beta.-trimethyl-5H-dibenzo[A,D]cycloheptene-5-propylamine hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 188 · 188-190° (dec)
- FDA UNII
- 2 H8658W · LIJ2H8658W
- NIST Chemistry Reference
- Butriptyline(5585-73-9)
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 in · LD50 in mice (mg/kg): 120 i.p.; 345 orally (Voith, Herr)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3249
- Toxicity
- LD50 in mice (mg/kg): 120 i.p.; 345 orally (Voith, Herr)
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
Usesb-blocker
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
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Compound notes
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