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Dehydroemetine - 99%, high purity , CAS No.4914-30-1

COA

Grade & Purity:

≥99%

Cas Number: 4914-30-1
Molecular Weight: 478.62
EC Number: 225-542-7
PubChem CID: 21022

In stock

Item Number

D650006

Grouped product items
SKU	Size	Availability	Price
D650006-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
D650006-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$980.90
D650006-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,800.90

View related series

Anti-infection (2803) Parasite (997)

Basic Description

Synonyms	Dehidroemetina \| Ro 1-9334 \| CHEBI:149634 \| UNII-L36LY97UH4 \| AKOS040741621 \| Didehydro-6',7',10,11-tetramethoxyemetane \| Ro 1-9334/20 \| DTXSID901023600 \| L36LY97UH4 \| (-)-2,3-Dehydroemetine \| 2-Dehydroemetine \| Emetane, didehydro-6',7',10,11-tetramethoxy
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Dehydroemetine, a synthetic analogue of emetine dihydrochloride, is used for visceral leishmaniasis. Dehydroemetine used for anti-parasites.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Dehydroemetine, a synthetic analogue of emetine dihydrochloride, is used for visceral leishmaniasis. Dehydroemetine used for anti-parasites. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Amine - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors	isoquinolines
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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	(11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
INCHI	InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1
InChIKey	XXLZPUYGHQWHRN-RPBOFIJWSA-N
Smiles	CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC
Isomeric SMILES	CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC
Alternate CAS	121523-30-6,26266-12-6,1986-67-0,4914-30-1
PubChem CID	21022
NSC Number	131546
MeSH Entry Terms	dehydroemetine;dehydroemetine hydrochloride
Molecular Weight	478.62

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 50 mg/mL (104.47 mM; Need ultrasonic)
Molecular Weight	478.600 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	478.283 Da
Monoisotopic Mass	478.283 Da
Topological Polar Surface Area	52.200 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	744.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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