8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
Grundinformationen
- CAS
26685-57-4- Standard-SMILES
C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C- InChIKey
PNEYWTKVWJBOMD-UHFFFAOYSA-N- Summenformel
- C26H37NO2
- Durchschnittliche Molmasse
- 395,6 g/mol
- Monoisotopische Masse
- 395,28242942
Überblick
tetrahydropyridobenzopyran derived from cannabinoid nucleus; structure
Namen und Bezeichner
- Bevorzugter Name
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
- Englischer Name
- PREGNANCY-SPECIFIC BETA 1-GLYCOPROTEIN
- Summenformel
- C26H37NO2
- Molmasse
- 395.58
Namen und Synonyme
26685-57-4Abbott 401745HF6EE0TC4NSC-167790SP-1 (PHARMACEUTICAL)ABBOTT-40174A-401748-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OLRefChem:914467SP 1 (pharmaceutical)SP-1NSC167790
Weitere Namen anzeigen
SP1CER2RHSP1GREM3CKTSF1B3GFRLTNFGYFEPGH-GFRLTNFGYFEPG-OHSP1 PROTEIN (HUMAN)SP3 PROTEIN (HUMAN)SP1, HUMAN, RECOMBINANT
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-olSP-1 (VAN)NSC 1677905,5-DIMETHYL-10-HYDROXY-8-(3-METHYL-2-OCTYL)-2-(2-PROPYNYL)-1,2,3,4-TETRAHYDRO-5H-(1)BENZOPYRANO(3,4-D)PYRIDINE5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-2-(2-propynyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridineUNII-5HF6EE0TC45,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
Datenbank-Bezeichner
- CAS
26685-57-4- PubChem CID
- 99040
- DTXSID
DTXSID00949501- ChEMBL
CHEMBL66108- UNII
- 5HF6EE0TC4
- Nikkaji
- J20.079D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 32,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 642
Physikochemische Eigenschaften
- Siedepunkt
- 517.8 · 517.8±50.0 °C(Predicted)
- Dichte
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- buffered aqueous solution
- pka
- 9.96 · 9.96±0.40(Predicted)
- Biologische Quelle
- mouse
Sicherheit und Regulatorisches
Sicherheitsdaten
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
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