Dehydroevidiamine , CAS No.D668089

CAS: D668089 Cat. No.: D668089 Peso molecular: 302.3 PubChem CID: 156372
Disponible para pedir
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
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
D668089-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
D668089-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.9
Nombres e identificadores
Sonrisas canónicasC[N+]1=C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
IUPAC Name21-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
InChIKeyVXHNSVKJHXSKKM-UHFFFAOYSA-O
INCHI1S/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
Isómeros SMILES C[N+]1=C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
PubChem CID 156372
Peso molecular 302.3

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassPyridoindoles
Intermediate Tree Nodes Not available
Direct ParentBeta 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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular302.300 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass302.129 Da
Monoisotopic Mass302.129 Da
Topological Polar Surface Area39.100 Ų
Heavy Atom Count23
Formal Charge1
Complexity557.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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