Basic information
- CAS
99450-97-2- Standard SMILES
CC(C)(C)C#C/C=C/CNCc1cccc2ccccc12- InChIKey
IZJZLXQHMWUCIC-XBXARRHUSA-N- Molecular formula
- C20H23N
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.18304974
Overview
N-Desmethylterbinafine is a member of naphthalenes.
Names & identifiers
- Preferred name
- Desmethylterbinafine
- IUPAC
- (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
- English name
- Desmethylterbinafine
- Molecular formula
- C20H23N
- Molecular weight
- 277.4
Names & synonyms
Desmethylterbinafine99450-97-2RefChem:919946N-Desmethyl Terbinafine99473-11-7N-DESMETHYLTERBINAFINEDemethylterbinafine(E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amineSDZ 86621[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl][(naphthalen-1-yl)methyl]amineN-DesmethylTerbinafine-d7N-[(2E)-6,6-Dimethyl-2-hepten-4-ynyl]-1-naphthalenemethanamine
Show more names
1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-yn-1-yl)-
orb2940887SCHEMBL3256682SCHEMBL30960251CHEBI:173976DTXSID3013582191-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-, (E)-MFCD07369294TXB-00231
Database identifiers
- CAS
99450-97-2、99473-11-7- PubChem CID
- 6443233
- DTXSID
DTXSID301358219- ChEBI
CHEBI:173976- Nikkaji
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Terbinafine
Physicochemical properties
- Boiling point
- 434.1 · 434.1±33.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 7.73 · 7.73±0.20(Predicted)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-Desmethylterbinafine is a known human metabolite of terbinafine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Suppliers23 total
南京望知星医药科技有限公司18569809817 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北摩科生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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