9CA

9H-CARBAZOLE

Created: 2006-02-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count24
Aromatic Bond Count15
2D diagram of 9CA
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Chemical Component Summary

Name9H-CARBAZOLE
Systematic Name (OpenEye OEToolkits)9H-carbazole
FormulaC12 H9 N
Molecular Weight167.207
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c1cccc3c1c2c(cccc2)n3
SMILESCACTVS3.341[nH]1c2ccccc2c3ccccc13
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c3ccccc3[nH]2
Canonical SMILESCACTVS3.341 [nH]1c2ccccc2c3ccccc13
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)c3ccccc3[nH]2
InChIInChI1.03 InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
InChIKeyInChI1.03 UJOBWOGCFQCDNV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07301 
NameCarbazole
Groups experimental
Synonyms
  • Diphenylenimide
  • 9-Azafluorene
  • Dibenzopyrrole
  • Carbazole
  • 9H-Carbazole
Categories
  • Carcinogens
  • Heterocyclic Compounds, Fused-Ring
  • Indoles
  • Noxae
  • Toxic Actions
CAS number86-74-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Ferredoxin CarAcMNQIWLKVCAASDMQPGTIRRVNRVGAAPLAVYRVGDQFYATEDTCTHGI...unknown
Terminal oxygenase component of carbazoleMANVDEAILKRVKGWAPYVDAKLGFRNHWYPVMFSKEINEGEPKTLKLLG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6854
ChEMBL CHEMBL243580
ChEBI CHEBI:27543
CCDC/CSD UNONIV, HOKSUY, KELVIH, CRBZOL11, CRBZOL12, CRBZOL03, HINQUR, CRBZOL14, CRBZOL04, SOMHEI, XANZUK, CBZTNB, LIKHIX, LIKHOD, XOCLOS01, CRBZOL13, DAWRAX, LOXYOP02, LOXYOP06, XAPDIF
COD 2019679