Basic information
- CAS
23749-58-8- Standard SMILES
O=c1c2cccc3cccc(c32)c2nc3ccccc3n12- InChIKey
NZBSAAMEZYOGBA-UHFFFAOYSA-N- Molecular formula
- C18H10N2O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.07931295
Names & identifiers
- Preferred name
- 7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one
- IUPAC
- 3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
- English name
- Benzimidazo[2,1-a]benz[d,e]isoquinolion-7-one
- Molecular formula
- C18H10N2O
- Molecular weight
- 270.28
Names & synonyms
23749-58-8Luminogren7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-oneSolvent Yellow 184LuminogenEINECS 245-865-7Luminor 490rtBRN 02436871,2-NaphthoylenebenzimidazoleDTXSID501784205-24-05-00073 (Beilstein Handbook Reference)
Show more names
luminor2luminophor2Yellow 2GFFluorescein TAHR agonist 37H-Benzimidazo[2yellow-green490rtLABOTEST-BB LT00007121
1,2-(1,8-Naphthoylene)benzimidazoleNSC 1594571,8-Naphthoylene-1',2'-benzimidazoleBenzimidazole, 1,2-(1',8'-naphthoylene)-RefChem:106658DTXCID80100911245-865-7NZBSAAMEZYOGBA-UHFFFAOYSA-N
Database identifiers
- CAS
23749-58-8- PubChem CID
- 90247
- DTXSID
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 613.6 · 613.6±38.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.20(Predicted)
- form
- powder
- color
- Bright yellow
- InChI
- InChI=1S/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H
- InChIKey
- NZBSAAMEZYOGBA-UHFFFAOYSA-N
- SMILES
- C12=NC3=CC=CC=C3N1C(=O)C1=CC=CC3=CC=CC2=C13
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P312
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one
Hazard Classes and CategoriesMuta. 2 (50%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P312
Chemistry & industry
Applications
UsesAHR agonist 3 is an aryl hydrocarbon receptor (AhR) agonist, that can induces cell cycle arrest or apoptosis via activation of tumor-suppressive transcriptional programs. AHR agonist 3 inhibits triple-negative breast cancer (TNBC) stem cell growth via AhR while exhibits minimal cytotoxicity against normal human primary cells and can be used for cancer research[1].
Suppliers27 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Hinova Pharma+86-18190684138 +86-18190684138 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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