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Samidorphan L-malate , Mu opioid receptor antagonist, CAS No.1204592-75-5, Mu opioid receptor antagonist

COA

Cas Number: 1204592-75-5
Molecular Weight: 504.5
PubChem CID: 53362094

In stock

Item Number

S671222

Grouped product items
SKU	Size	Availability	Price	Qty
S671222-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	SAMIDORPHAN L-MALATE \| SAMIDORPHAN L-MALATE [ORANGE BOOK] \| MORPHINAN-3-CARBOXAMIDE, 17-(CYCLOPROPYLMETHYL)-4,14-DIHYDROXY-6-OXO-, (2S)-2-HYDROXYBUTANEDIOATE (1:1) \| RDC-0313-02 \| SAMIDORPHAN L-MALATE COMPONENT OF LYBALVI \| Morphinan-3-carboxamide, 17-(cy
Action Type	PARTIAL AGONIST
Mechanism of action	Mu opioid receptor antagonist

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	Naphthalenecarboxamides Benzazocines Isoquinolones and derivatives Tetralins Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Piperidines Dicarboxylic acids and derivatives Fatty acids and conjugates Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Trialkylamines Secondary alcohols Amino acids and derivatives Primary carboxylic acid amides Cyclic ketones Cyclic alcohols and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Phenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Benzazocine - Isoquinolone - Salicylic acid or derivatives - Tetralin - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Aralkylamine - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Piperidine - Cyclic alcohol - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Primary carboxylic acid amide - Cyclic ketone - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Ketone - Carboxamide group - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Alcohol - 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

Names and Identifiers

IUPAC Name	(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(2S)-2-hydroxybutanedioic acid
INCHI	InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);2,5H,1H2,(H,6,7)(H,8,9)/t16-,20-,21-;2-/m10/s1
InChIKey	RARHXUAUPNYAJF-QSYGGRRVSA-N
Smiles	C1CC1CN2CCC34CC(=O)CCC3(C2CC5=C4C(=C(C=C5)C(=O)N)O)O.C(C(C(=O)O)O)C(=O)O
Isomeric SMILES	C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O.C([C@@H](C(=O)O)O)C(=O)O
Molecular Weight	504.5
Reaxy-Rn	28663754
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28663754&ln=

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