Jnj-18038683
Grundinformationen
- CAS
851376-05-1- Standard-SMILES
Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
DIQZMBPDLFAJLK-UHFFFAOYSA-N- Summenformel
- C26H28ClN3O7
- Durchschnittliche Molmasse
- 530 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Jnj-18038683
- IUPAC
- 1-benzyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine;2-hydroxypropane-1,2,3-tricarboxylic acid
- Englischer Name
- JNJ-18038683
- Summenformel
- C26H28ClN3O7
- Molmasse
- 529.97
Namen und Synonyme
JNJ-18038683851376-05-19UKQ1NQ8YXPyrazolo(3,4-d)azepine, 3-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-1-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)RefChem:1505243-(4-chlorophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo(5,4-d)azepineUNII-9UKQ1NQ8YX1-benzyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine;2-hydroxypropane-1,2,3-tricarboxylic acid1-Benzyl-3-(4-chlorophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine 2-hydroxypropane-1,2,3-tricarboxylateC26H28ClN3O7JNJ-18038683 citrateorb1309526
Weitere Namen anzeigen
JNJ-18038683, 10 mM in DMSOMc-PEG4-Val-Ala-PAB-ExatecanInhibitor,JNJ-18038683,5-hydroxytryptamine Receptor,inhibit,JNJ 18038683,JNJ18038683,Serotonin Receptor,5-HT Receptor
SCHEMBL2076923CHEMBL4297293DIQZMBPDLFAJLK-UHFFFAOYSA-NEX-A12315AKOS040733500BJ166487DA-54543HY-19889
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 162 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 618
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 200 · DMSO:200.0(Max Conc. mg/mL);377.38(Max Conc. mM)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Anbieter22 Anbieter
Aladdin Scientific[email protected]
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