Methylsamidorphan , Mu opioid receptor antagonist, CAS No.1119361-12-4, Mu opioid receptor antagonist

CAS: 1119361-12-4 Cat. No.: M671272 Formula: C₂₂H₂₉N₂O₄⁺ Molecular Weight: 385.5 PubChem CID: 71484494

Synonyms

Methylsamidorphan|Methylsamidorphan cation|ALKS37|RDC-1036 CATION|ALKS 37|RDC-1036|(17R)-3-CARBAMOYL-17-(CYCLOPROPYLMETHYL)-4,14-DIHYDROXY-17-METHYL-6-OXOMORPHINANIUM|METHYLSAMIDORPHAN [WHO-DD]|RDC-103603|Methylsamidorphan [USAN]|Morphinanium, 3-(aminocarbonyl)-17-(cyclopropylmethyl)-4,14-dihydroxy-17-methyl-6-oxo-, (17R)-|ALKS-37 CATION|Methylsamidorphan ion|RDC-103600

Storage

Room temperature

Specifications

Synonyms

Methylsamidorphan | Methylsamidorphan cation | ALKS37 | RDC-1036 CATION | ALKS 37 | RDC-1036 | (17R)-3-CARBAMOYL-17-(CYCLOPROPYLMETHYL)-4,14-DIHYDROXY-17-METHYL-6-OXOMORPHINANIUM | METHYLSAMIDORPHAN [WHO-DD] | RDC-103603 | Methylsamidorphan [USAN] | Morphinanium, 3-(aminocarbonyl)-17-(cyclopropylmethyl)-4,14-dihydroxy-17-methyl-6-oxo-, (1 Show more

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Mu opioid receptor antagonist

Product Properties

alogp

1.1

Names and Identifiers

Canonical Smiles

C[N+]1(CCC23CC(=O)CCC2(C1CC4=C3C(=C(C=C4)C(=O)N)O)O)CC5CC5

IUPAC Name

(1R,9R,10S,17R)-17-(cyclopropylmethyl)-3,10-dihydroxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

InChIKey

ATCVVCBJNHXIEX-ZAHKBLQYSA-O

INCHI

1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,26,27)/p+1/t17-,21-,22-,24-/m1/s1

Isomeric SMILES

C[N@@+]1(CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C(=C(C=C4)C(=O)N)O)O)CC5CC5

PubChem CID

71484494

Molecular Weight

385.5

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 Aralkylamines Piperidines Vinylogous acids Tetraalkylammonium salts Tertiary alcohols 1,2-aminoalcohols Primary carboxylic acid amides Cyclic alcohols and derivatives Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Benzazocine - Isoquinolone - Salicylic acid or derivatives - Tetralin - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Piperidine - Tetraalkylammonium salt - Cyclic alcohol - Vinylogous acid - Quaternary ammonium salt - Tertiary alcohol - Carboxamide group - Ketone - Primary carboxylic acid amide - 1,2-aminoalcohol - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic salt - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Alcohol - Organic cation - 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

Data sources

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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1119361-12-4, the molecular formula is C22H29N2O4?, and the molecular weight is 385.5 g/mol. InChIKey ATCVVCBJNHXIEX-ZAHKBLQYSA-O.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.