Norethisterone enanthate - ≥97% , CAS No.3836-23-5

CAS: 3836-23-5 Cat. No.: N348563 Formula: C₂₇H₃₈O₃ Molecular Weight: 410.59 EC Number: 223-326-7 PubChem CID: 229295

GRADE & PURITY ≥97%

Synonyms

DTXSID2048664 | HY-A0285 | 17-beta-Heptanoyloxy-17-alpha-ethynyl-4-oestren-3-one | 19-Nor-17.alpha.-pregn-4-en-20-yn-3-one, heptanoate | norethindrone heptanoate | 17.alpha.-Ethynyl-17.beta.-heptanoyloxy-4-estren-3-one | 19-Nor-17.alpha.-pregn-4-en-20-yn-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

application：

Norethisterone enanthate is a useful compound to study chem.-chem. interaction for predicting biological functions. It also has antigonadotropic effects and can be used as a hormonal contraceptive.

Specifications

Synonyms

DTXSID2048664 | HY-A0285 | 17-beta-Heptanoyloxy-17-alpha-ethynyl-4-oestren-3-one | 19-Nor-17.alpha.-pregn-4-en-20-yn-3-one, heptanoate | norethindrone heptanoate | 17.alpha.-Ethynyl-17.beta.-heptanoyloxy-4-estren-3-one | 19-Nor-17.alpha.-pregn-4-en-20-yn-

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

504757974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757974

Canonical Smiles

CCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C

IUPAC Name

[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

InChIKey

APTGJECXMIKIET-WOSSHHRXSA-N

INCHI

1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1

Isomeric SMILES

CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C

PubChem CID

229295

Molecular Weight

410.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Estrogens and derivatives 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Ynones Carboxylic acid esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Steroid ester - Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Estrane-skeleton - Oxosteroid - Delta-4-steroid - Cyclohexenone - Ynone - Carboxylic acid ester - Cyclic ketone - Ketone - Acetylide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• External Descriptors: steroid ester

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Melt Point(°C): 72-81° C
• Molecular Weight: 410.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 410.282 Da
• Monoisotopic Mass: 410.282 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 770.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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