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Home > Indoles and Oxindole > 40642-83-9
40642-83-9 | 3-methylideneindole
CAS No: 40642-83-9 Catalog No: AG00769V MDL No:
Product Description
Catalog Number:
AG00769V
Chemical Name:
3-methylideneindole
CAS Number:
40642-83-9
Molecular Formula:
C9H7N
Molecular Weight:
129.1586
IUPAC Name:
3-methylideneindole
InChI:
InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2
InChI Key:
BCNUXXXHEIUHJB-UHFFFAOYSA-N
SMILES:
C=C1C=Nc2c1cccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.162g/mol
Monoisotopic Mass:
129.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Directed evolution reveals requisite sequence elements in the functional expression of P450 2F1 in Escherichia coli. | Chemical research in toxicology 20120917 |
| In vitro bioactivation of bazedoxifene and 2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol in human liver microsomes. | Chemico-biological interactions 20120415 |
| Novel Cβ-Cγ bond cleavages of tryptophan-containing peptide radical cations. | Journal of the American Society for Mass Spectrometry 20120201 |
| 3-Methylindole metabolites induce lung CYP1A1 and CYP2F1 enzymes by AhR and non-AhR mechanisms, respectively. | Chemical research in toxicology 20100315 |
| Ascorbigen: chemistry, occurrence, and biologic properties. | Clinics in dermatology 20090101 |
| Single mutations change CYP2F3 from a dehydrogenase of 3-methylindole to an oxygenase. | Biochemistry 20080916 |
| Metabolic activation of a novel 3-substituted indole-containing TNF-alpha inhibitor: dehydrogenation and inactivation of CYP3A4. | Chemical research in toxicology 20080201 |
| Dehydrogenation of indoline by cytochrome P450 enzymes: a novel 'aromatase' process. | The Journal of pharmacology and experimental therapeutics 20070801 |
| Acute interstitial pneumonia in feedlot cattle: effects of feeding feather meal or vitamin E. | Canadian journal of veterinary research = Revue canadienne de recherche veterinaire 20070401 |
| Examining the risks and benefits of considering both the traditional dose--response and hormesis in arriving at an acceptable exposure level. | Human & experimental toxicology 20060101 |
| Examining the risks and benefits of replacing traditional dose-response with hormesis. | Human & experimental toxicology 20050501 |
| 3-methylindole-induced toxicity to human bronchial epithelial cell lines. | Toxicological sciences : an official journal of the Society of Toxicology 20030201 |
| Effects of feeding aspirin and supplemental vitamin E on plasma concentrations of 3-methylindole, 3-methyleneindolenine-adduct concentrations in blood and pulmonary tissues, lung lesions, and growth performance in feedlot cattle. | American journal of veterinary research 20021201 |
| Time-dependent changes in plasma concentrations of 3-methylindole and blood concentrations of 3-methyleneindolenine-adduct in feedlot cattle. | American journal of veterinary research 20020401 |
| Association of 3-methyleneindolenine, a toxic metabolite of 3-methylindole, with acute interstitial pneumonia in feedlot cattle. | American journal of veterinary research 20011001 |
| Detection and characterization of DNA adducts of 3-methylindole. | Chemical research in toxicology 20010801 |
| Selective dehydrogenation/oxygenation of 3-methylindole by cytochrome p450 enzymes. | Drug metabolism and disposition: the biological fate of chemicals 20010701 |
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