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Small Molecules & Compound Libraries
Sinoacutine - 10mM in DMSO, high purity , CAS No.4090-18-0

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Sinoacutine - 10mM in DMSO, high purity , CAS No.4090-18-0

COA

Grade & Purity:

10mM in DMSO

Cas Number: 4090-18-0
Molecular Weight: 327.37
PubChem CID: 821366

In stock

Item Number

S423860

Grouped product items
SKU	Size	Availability	Price	Qty
S423860-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90

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Compound libraries (12325)

Basic Description

Synonyms	Sinoacutine \| 4090-18-0 \| Salutaridine, (-)- \| (-)-salutaridine \| Sinoacutin \| (-)-Sinoacutine \| UNII-7UOY4F98SF \| 7UOY4F98SF \| (-?)?-?Salutaridine \| Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-, (9alpha,13alpha)- \| (1R,9S)-3-hydroxy-4,13-dimetho
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Sinoacutine (Salutaridine), isolated from the Chinese drug Ching-fengteng, elicits mild antitussive properties.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Sinoacutine (Salutaridine), isolated from the Chinese drug Ching-fengteng, elicits mild antitussive properties.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Benzazocines Isoquinolones and derivatives Tetralins Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Piperidines Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenanthrene - Benzazocine - Isoquinolone - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aralkylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors	Not available
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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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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	(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
INCHI	InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m0/s1
InChIKey	GVTRUVGBZQJVTF-ORAYPTAESA-N
Smiles	CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILES	CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
PubChem CID	821366
Molecular Weight	327.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	327.400 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	327.147 Da
Monoisotopic Mass	327.147 Da
Topological Polar Surface Area	59.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	612.000
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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