N1,N12-bis(ethyl)spermine
Grundinformationen
- CAS
61345-84-4- Standard-SMILES
CCNCCCNCCCCNCCCNCC- InChIKey
PGMIWVSHZMWSSI-UHFFFAOYSA-N- Summenformel
- C14H34N4
- Durchschnittliche Molmasse
- 258,45 g/mol
- Monoisotopische Masse
- 258,2783471
Überblick
N(1),N(12)-diethylspermine is a substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group. It has a role as an antineoplastic agent. It is a substituted spermine, a tetramine, a polyazaalkane and a secondary amino compound.
Namen und Bezeichner
- Bevorzugter Name
- N1,N12-bis(ethyl)spermine
- IUPAC
- N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
- Englischer Name
- N(1), N(12)-diethylspermine
- Summenformel
- C14H34N4
- Molmasse
- 258.45
Namen und Synonyme
N(1), N(12)-diethylspermine61345-84-43XXE6ARW3HDE-343N1,N12-bis(ethyl)spermineRefChem:9273611,12-Besmn,n'-bis[3-(ethylamino)propyl]butane-1,4-diamineN(1),N(12)-Bis(ethyl)spermineBe-3-4-3N(1),N(12)-DiethylspermineBIS(ETHYL)SPERMINE
Weitere Namen anzeigen
1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-
N1,N1'-(butane-1,4-diyl)bis(N3-ethylpropane-1,3-diamine)3,7,12,16-tetraazaoctadecaneN1, N12-DIETHYLSPERMINEDTXSID50976862Bio1_000372Tocris-0500UNII-3XXE6ARW3HCHEMBL18794
Datenbank-Bezeichner
- CAS
61345-84-4- PubChem CID
- 4283
- DTXSID
DTXSID50976862- ChEMBL
CHEMBL18794- ChEBI
CHEBI:90282- UNII
- 3XXE6ARW3H
- Nikkaji
- J386.724B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 48,1 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 126
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (decomp)(Solv: ethanol (64-17-5); ethyl acetate (141-78-6); water (7732-18-5))
- Siedepunkt
- 368.4 · 368.4±10.0 °C(Predicted)
- Dichte
- 0.876 · 0.876±0.06 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.19(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Endogenous or exogenous substances which inhibit the normal growth of human and animal cells or micro-organisms, as distinguished from those affecting plant growth (= PLANT GROWTH REGULATORS).
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group.
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