Terbinafine hydrochloride, (Z)-

HCID 71752365
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Basic information

CAS
176168-78-8
Standard SMILES
CN(C/C=C\C#CC(C)(C)C)Cc1cccc2ccccc12.Cl
InChIKey
BWMISRWJRUSYEX-UYTGOYFPSA-N
Molecular formula
C21H26ClN
Average molar mass
327.9 g/mol

Names & identifiers

Preferred name
Terbinafine hydrochloride, (Z)-
IUPAC
(Z)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride
English name
cis-Terbinafine Hydrochloride
Molecular formula
C21H25N.ClH
Molecular weight
327.89

Names & synonyms

cis-Terbinafine Hydrochloride176168-78-8Terbinafine hydrochloride, (Z)-UNII-2H771UZ7862H771UZ786(2Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride1-Naphthalenemethanamine, N-((2Z)-6,6-dimethyl-2-hepten-4-yn-1-yl)-N-methyl-, hydrochloride (1:1)RefChem:203224(Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride(Z)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride(2Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Hydrochloride (cis-Terbinafine Hydrochloride)Terbinafine Impurity B
Show more names
(Z)-TerbinafineTerbinafine EP Impurity BTerbinafine Impurity B HClTerbinafine EP Impurity B HClTerbinafine Related CoMpound B(2Z)-N,6,6-Trimethyl-N-(naphthalen-Terbinafine EP Impurity B (as Hydrochloride)Terbinafine Related Compound B as HydrochlorideTerbinafine USP Related Compound B as Hydrochloride
(Z)-terbinafine hydrochlorideorb3214938SCHEMBL29871278MFCD25974023FT28038N-[(2Z)-6,6-Dimethyl-2-hepten-4-yn-1-yl]-N-methyl-1-naphthalenemethanamine HydrochlorideA1-01779Q27254741

Database identifiers

CAS
176168-78-8
PubChem CID
71752365
UNII
2H771UZ786
EC Number
642-240-4

Properties

Computed structural properties

Topological polar surface area
3.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
23

Physicochemical properties

Melting point
135 °C · 135 °C(Solv: ethyl acetate (141-78-6))
storage temp.
2 · 2-8°C
solubility
Methanol (Slightly)
form
Solid
color
White to Off-White
Major Application
pharmaceutical small molecule

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (50%)

Safety data

wgk
WGK 3
hs_code
2921490002
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications

UsesAn impurity in the production of Terbinafine hydrochloride.

Suppliers53 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]

Related reactions

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Compound notes

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