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Dehydroevidiamine , CAS No.D668089

COA COA
  • Molecular Weight:  302.3
  • PubChem CID: 156372
In stock
Item Number
D668089
Grouped product items
SKU Size
Availability
 Price Qty
D668089-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
D668089-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms Dehydroevidiamine | Dehydroevodiamine HCl | Evodiamine, derivative of | BDBM50131047 | AKOS040750459 | S3816 | 14-Methyl-5-oxo-5,7,8,13-tetrahydro-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-14-ium

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Pyridoindoles
Intermediate Tree Nodes Not available
Direct Parent Beta carbolines
Alternative Parents Quinazolines  Pyridopyrimidines  3-alkylindoles  Pyrimidones  Pyridines and derivatives  Benzenoids  Vinylogous amides  Pyrroles  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organooxygen compounds  Organic cations  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Beta-carboline - Diazanaphthalene - Pyridopyrimidine - Quinazoline - 3-alkylindole - Indole - Pyrimidone - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors Not available

Product Properties

ALogP 2.9

Associated Targets(Human)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAW264.7 (28094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Aorta (2975 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 21-methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
INCHI InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3/p+1
InChIKey VXHNSVKJHXSKKM-UHFFFAOYSA-O
Smiles C[N+]1=C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Isomeric SMILES C[N+]1=C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
PubChem CID 156372
Molecular Weight 302.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 302.300 g/mol
XLogP3 2.900
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 302.129 Da
Monoisotopic Mass 302.129 Da
Topological Polar Surface Area 39.100 Ų
Heavy Atom Count 23
Formal Charge 1
Complexity 557.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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