3,4-dihydro-4-hydroxy-2(1H)-Isoquinolinecarboximidamide
Grundinformationen
- CAS
59333-79-8- Standard-SMILES
N=C(N)N1Cc2ccccc2C(O)C1- InChIKey
AKFURXZANOMQBD-UHFFFAOYSA-N- Summenformel
- C10H13N3O
- Durchschnittliche Molmasse
- 191,23 g/mol
- Monoisotopische Masse
- 191,10586205
Namen und Bezeichner
- Bevorzugter Name
- 3,4-dihydro-4-hydroxy-2(1H)-Isoquinolinecarboximidamide
- IUPAC
- 4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
- Englischer Name
- 4-Hydroxydebrisoquine
- Summenformel
- C10H13N3O
- Molmasse
- 191.23
Namen und Synonyme
59333-79-84-HydroxydebrisoquinCHEBI:63800Ro 03,75943,4-dihydro-4-hydroxy-2(1H)-IsoquinolinecarboximidamideRefChem:9106074-Hydroxydebrisoquinerac 4-Hydroxydebrisoquine-13C,15N2 Hemisulfate4-hydroxy-3,4-dihydro-1h-isoquinoline-2-carboxamidine4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide4-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboximidamide4-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboximidamide
Weitere Namen anzeigen
(±)4-Hydroxydebrisoquin(+/-)-4-HYDROXYDEBRISOQUIN(+/-)-4-Hydroxydebrisoquin[13C,15N2]- (±)-4-Hydroxydebrisoquine Hemisulfate3,4-Dihydro-4-hydroxyisoquinoline-2(1H)-carboxamidine4-Hydroxy-3,4-dihydroisoquinoline-2(1H)-carbimide amide
3,4-Dihydro-4-hydroxy-2(1H)-isoquinolinecarboximidamide-13C,15N2 Hemisulfate;4 hydroxy debrisoquine4-Hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboximidamideCHEMBL1710849SCHEMBL11720799SCHEMBL295497432(1H)-Isoquinolinecarboximidamide,3,4-dihydro-4-hydroxy-DTXSID90866753
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 73,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 231
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Siedepunkt
- 374.2 · 374.2±52.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.20(Predicted)
- Aggregatzustand
- White solid.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Hydroxydebrisoquine is a known human metabolite of debrisoquine.
Cellular LocationsCytoplasm；Extracellular
Anwendungen
VerwendenA labelled metabolite of Debrisoquine Sulfate, a potent antihypertenvise agent.
Anbieter4 Anbieter
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: An isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively.
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