Basic information
- CAS
17692-54-5- Standard SMILES
COc1c(C)cc(N(CCCl)CCCl)c2ccccc12- InChIKey
CLZXREZAEIUCGG-UHFFFAOYSA-N- Molecular formula
- C16H19Cl2NO
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.0843696
Overview
Mitoclomine is a small molecule drug. Mitoclomine has a monoisotopic molecular weight of 311.08 Da.
Names & identifiers
- Preferred name
- Mitoclomine
- IUPAC
- N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine
- English name
- mitoclomine
- Molecular formula
- C16H19Cl2NO
- Molecular weight
- 312.23
Names & synonyms
Mitoclomine17692-54-5MitoclominaNSC-114575MitoclominumN,N-bis(2-Chloroethyl)-4-methoxy-3-methyl-1-naphthylamine02DQX562CRDTXSID30170220NSC114575RefChem:925935DTXCID3092711N,N-Bis(2-chloroethyl)-4-methoxy-3-methyl-1-naphthalenamine
Show more names
1-Naphthalenamine, N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-
N,N-bis(2-chloroethyl)4-amino-2-methyl-1-methoxy-naphthalene241-687-9N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amineNSC 114575WBA 7707Mitoclomina [INN-Spanish]Mitoclomine [INN:BAN]Mitoclominum [INN-Latin]
Database identifiers
- CAS
17692-54-5- PubChem CID
- 28694
- DTXSID
DTXSID30170220- ChEMBL
CHEMBL2106926- UNII
- 02DQX562CR
- EC Number
- 241-687-9
- Nikkaji
- J10.165F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 444.3 · 444.3±45.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 4.37 · 4.37±0.70(Predicted)
- FDA UNII
- 2 DQX562CR · 02DQX562CR
- Toxicity
- 710 ug/kg · TDLo oral in human: 710ug/kg
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
- Toxicity
- TDLo oral in human: 710ug/kg
Chemistry & industry
Applications
UsesAntineoplastic.
Suppliers3 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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